| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.4 | Very low | 38.7 | Very low | 241 Ų | 241 | 143.1 Ų | 143.1 | 100% | 1.187 | 83% | 0.827 | S | S | * | * | 0 | 111.7 | 0 | -72.9 | 170.2 | 169.7 | 0 | 0 | 106.9 | |||||
| 2 | N | 41.5 | Very low | 38.4 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 91% | 0.914 | 82% | 0.822 | S | S | * | * | trans | 19.9 | 120.9 | 164.8 | -52.6 | -5.7 | 0 | 0 | 0 | 117.4 | ||||
| 3 | G | 36.4 | Very low | 37.9 | Very low | 70 Ų | 70 | 140.9 Ų | 140.9 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | cis | 117.6 | 77 | 42.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 4 | T | 40.4 | Very low | 38.1 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 77% | 0.767 | 81% | 0.811 | S | S | * | * | 77.4 | 133.4 | 97.6 | -18.3 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 5 | L | 40.9 | Very low | 37.5 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | trans | 74.4 | 117.9 | 154 | -63.6 | 139 | 0 | 0 | 0 | 117.8 | ||||
| 6 | T | 33.3 | Very low | 37.6 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | 51 | 109.4 | 53.2 | 76.9 | 0 | 0 | 0 | 0 | 116 | |||||
| 7 | T | 38.7 | Very low | 37.5 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -155.7 | 122.1 | 148 | -74.2 | 0 | 0 | 0 | 0 | 110.2 | Q9 | T7-Q9 HydrophobicContact CG2-CG 4.5Š| ||
| 8 | S | 36.3 | Very low | 37.9 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -82.2 | 136.9 | 168.5 | -48.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 9 | Q | 41.5 | Very low | 38.3 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -160.9 | 141.8 | 154.3 | -65.1 | -168.9 | -1.1 | 0 | 0 | 105.4 | T7 | T7-Q9 HydrophobicContact CG2-CG 4.5Š| ||
| 10 | S | 37.1 | Very low | 39.5 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | cis | -168.8 | 148.2 | -9.7 | -87.9 | 0 | 0 | 0 | 0 | 104 | D12 | S10-D12 PolarHBondContact O-N 3.1Š| ||
| 11 | M | 38.7 | Very low | 41.5 | Very low | 185 Ų | 185 | 138.1 Ų | 138.1 | 91% | 0.911 | 77% | 0.774 | S | S | * | * | trans | -77.3 | 109.9 | 170.7 | -71.3 | 164.1 | 80.6 | 0 | 0 | 108.8 | ||||
| 12 | D | 35.4 | Very low | 43.8 | Very low | 144 Ų | 144 | 128.2 Ų | 128.2 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | -107.6 | 104.6 | 162.6 | -76.5 | -44.6 | 0 | 0 | 0 | 108.8 | S10 V14 | S10-D12 PolarHBondContact O-N 3.1Å; D12-V14 PolarHBondContact O-N 2.86Å | ||
| 13 | S | 32.3 | Very low | 46.1 | Very low | 114 Ų | 114 | 123 Ų | 123 | 80% | 0.797 | 70% | 0.695 | S | S | * | * | trans | -81.6 | 104.4 | 164.5 | -60.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 14 | V | 40.3 | Very low | 48.8 | Very low | 113 Ų | 113 | 119.7 Ų | 119.7 | 69% | 0.685 | 66% | 0.66 | S | S | * | * | trans | -142.1 | 93.2 | 171.9 | -169.5 | 0 | 0 | 0 | 0 | 111 | D12 I16 | D12-V14 PolarHBondContact O-N 2.86Å; V14-I16 PolarHBondContact O-N 3.35Å; V14-I16 VanDerWaalsContact O-N 3.17Å | ||
| 15 | N | 29.4 | Very low | 51.4 | Low | 147 Ų | 147 | 113.7 Ų | 113.7 | 79% | 0.786 | 62% | 0.624 | S | S | * | * | trans | 21.4 | 81.5 | 138.6 | -164.3 | 38.4 | 0 | 0 | 0 | 116.8 | N17 | N15-N17 PolarHBondContact O-N 2.78Å; N15-N17 VanDerWaalsContact O-N 3.14Å | ||
| 16 | I | 39.8 | Very low | 53.9 | Low | 162 Ų | 162 | 109.4 Ų | 109.4 | 83% | 0.831 | 60% | 0.599 | S | S | * | * | trans | -82.9 | 96.6 | 167.8 | -50.4 | -175 | 0 | 0 | 0 | 107.4 | V14 V18 | V14-I16 PolarHBondContact O-N 3.35Å; V14-I16 VanDerWaalsContact O-N 3.17Å; I16-V18 PolarHBondContact O-N 3.46Å | ||
| 17 | N | 35.1 | Very low | 56.7 | Low | 94 Ų | 94 | 103.6 Ų | 103.6 | 50% | 0.503 | 56% | 0.564 | S | S | . | * | trans | -37.6 | 132.1 | 165.7 | -135.5 | 2.5 | 0 | 0 | 0 | 109.1 | N15 E19 | N15-N17 PolarHBondContact O-N 2.78Å; N15-N17 VanDerWaalsContact O-N 3.14Å; N17-E19 HydrophobicContact CB-CB 4.42Å; N17-E19 HydrophobicContact CB-CG 3.98Å; N17-E19 PolarHBondContact ND2-OE1 3.01Å; N17-E19 PolarHBondContact O-N 2.96Å | ||
| 18 | V | 44.1 | Very low | 59.1 | Low | 147 Ų | 147 | 98.4 Ų | 98.4 | 89% | 0.891 | 53% | 0.532 | S | S | * | . | trans | -69.8 | 57.3 | 166 | -173.6 | 0 | 0 | 0 | 0 | 107.6 | I16 E20 | I16-V18 PolarHBondContact O-N 3.46Å; V18-E20 PolarHBondContact O-N 3.19Å | ||
| 19 | E | 46.8 | Very low | 61.4 | Low | 147 Ų | 147 | 93.6 Ų | 93.6 | 69% | 0.687 | 50% | 0.501 | S | S | * | . | trans | -79.1 | 96.6 | 166.8 | -84.2 | 179.7 | -158.9 | 0 | 0 | 105.8 | N17 E21 | N17-E19 HydrophobicContact CB-CB 4.42Å; N17-E19 HydrophobicContact CB-CG 3.98Å; N17-E19 PolarHBondContact ND2-OE1 3.01Å; N17-E19 PolarHBondContact O-N 2.96Å; E19-E21 PolarHBondContact O-N 2.94Å | ||
| 20 | E | 61.8 | Low | 63.5 | Low | 149 Ų | 149 | 85.5 Ų | 85.5 | 70% | 0.696 | 46% | 0.463 | S | S | * | . | trans | -26.3 | 84.3 | -179.9 | -155.5 | -178.2 | 175.7 | 0 | 0 | 114.2 | V18 V22 | V18-E20 PolarHBondContact O-N 3.19Å; E20-V22 PolarHBondContact O-N 3.05Å | ||
| 21 | E | 81 | Confident | 65.8 | Low | 109 Ų | 109 | 84 Ų | 84 | 51% | 0.509 | 45% | 0.451 | S | S | . | . | trans | -60 | 132 | -178.8 | -170.4 | 171.9 | -138.8 | 0 | 0 | 109.9 | E19 R23 R76 N109 | E19-E21 PolarHBondContact O-N 2.94Å; E21-R23 PolarHBondContact O-N 3.46Å; E21-R76 HydrophobicContact CG-CB 3.84Å; E21-R76 VanDerWaalsContact CG-CD 3.45Å; E21-R76 HydrophobicContact CG-CG 4.2Å; E21-R76 WeakPolarHBondContact OE1-CD 3.29Å; E21-R76 IonicContact OE1-CZ 3.35Å; E21-R76 IonicContact OE1-NE 3.93Å; E21-R76 IonicContact OE1-NH1 3.5Å; E21-R76 PolarHBondContact OE1-NH1 3.41Å; E21-R76 WeakPolarHBondContact OE2-CB 3.2Å; E21-N109 PolarHBondContact O-ND2 2.94Å | ||
| 22 | V | 88.2 | Confident | 67.9 | Low | 34 Ų | 34 | 80 Ų | 80 | 21% | 0.206 | 43% | 0.433 | C | S | . | . | trans | -71 | 111.2 | -174.4 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | E20 T24 F105 A106 N109 | E20-V22 PolarHBondContact O-N 3.05Å; V22-T24 WeakPolarHBondContact CG1-O 3.46Å; V22-F105 HydrophobicContact CB-CD1 4.25Å; V22-F105 HydrophobicContact CG1-CB 4.42Å; V22-F105 HydrophobicContact CG1-CD1 3.98Å; V22-F105 WeakPolarHBondContact O-CD1 3.31Å; V22-F105 WeakPolarHBondContact O-CE1 3.42Å; V22-A106 HydrophobicContact CG1-CB 4.36Å; V22-A106 WeakPolarHBondContact CG1-O 3.12Å; V22-N109 VanDerWaalsContact CA-OD1 3.3Å; V22-N109 WeakPolarHBondContact CA-OD1 3.43Å | ||
| 23 | R | 91.7 | Very high | 70.2 | Confident | 61 Ų | 61 | 78.9 Ų | 78.9 | 23% | 0.23 | 43% | 0.427 | C | S | . | . | trans | -103.4 | 1.7 | 175.9 | 75.4 | -157.6 | -174.9 | 101 | -2.2 | 112.9 | E21 E50 T72 F73 N109 | E21-R23 PolarHBondContact O-N 3.46Å; R23-E50 IonicContact CZ-OE1 2.68Å; R23-E50 IonicContact CZ-OE2 2.73Å; R23-E50 IonicContact NH1-OE1 3.86Å; R23-E50 IonicContact NH1-OE2 3.97Å; R23-E50 PolarHBondContact NH1-OE2 3.1Å; R23-E50 IonicContact NH2-OE1 3.85Å; R23-E50 PolarHBondContact NH2-OE1 2.85Å; R23-E50 IonicContact NH2-OE2 3.26Å; R23-E50 PolarHBondContact NH2-OE2 3.37Å; R23-T72 HydrophobicContact CG-CG2 3.92Å; R23-F73 WeakPolarHBondContact CB-O 3.49Å; R23-F73 VanDerWaalsContact CD-O 3.24Å; R23-F73 WeakPolarHBondContact CD-O 3.49Å; R23-F73 WeakPolarHBondContact CG-O 3.25Å; R23-F73 PolarHBondContact NH1-O 2.89Å; R23-F73 PolarHBondContact O-N 3.31Å; R23-N109 WeakPolarHBondContact CG-OD1 3.3Å; R23-N109 PolarHBondContact N-OD1 3.38Å | ||
| 24 | T | 92.9 | Very high | 72.8 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 129.2 | 177.2 | -60.4 | 0 | 0 | 0 | 0 | 111 | V22 F70 V71 T72 A106 N109 T110 | V22-T24 WeakPolarHBondContact CG1-O 3.46Å; T24-F70 HydrophobicContact CG2-CB 4Å; T24-F70 HydrophobicContact CG2-CD1 4.2Å; T24-V71 CarbonylContact C-O 3.55Å; T24-V71 VanDerWaalsContact CA-O 3.24Å; T24-V71 WeakPolarHBondContact CA-O 3.22Å; T24-T72 PolarHBondContact OG1-OG1 3.42Å; T24-A106 HydrophobicContact CG2-CB 3.73Å; T24-A106 VanDerWaalsContact O-CB 3.3Å; T24-A106 WeakPolarHBondContact O-CB 3.18Å; T24-A106 PolarHBondContact O-N 3.32Å; T24-N109 PolarHBondContact N-OD1 3.29Å; T24-N109 WeakPolarHBondContact OG1-CA 2.86Å; T24-T110 HydrophobicContact CG2-CG2 3.67Å; T24-T110 PolarHBondContact OG1-N 2.67Å; T24-T110 VanDerWaalsContact OG1-N 3.13Å |
| 25 | L | 94 | Very high | 75 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 134.5 | 166.6 | -60.4 | -178.6 | 0 | 0 | 0 | 111.4 | F70 V71 F73 A79 A82 R83 L103 E104 F105 | L25-F70 CarbonylContact O-C 3.5Å; L25-F70 VanDerWaalsContact O-CA 3.31Å; L25-F70 WeakPolarHBondContact O-CA 3.21Å; L25-V71 PolarHBondContact N-O 2.83Å; L25-V71 PolarHBondContact O-N 3.38Å; L25-F73 HydrophobicContact CB-CE2 4.49Å; L25-F73 HydrophobicContact CD1-CE2 3.66Å; L25-F73 HydrophobicContact CD1-CZ 4.25Å; L25-F73 HydrophobicContact CG-CD2 4.37Å; L25-F73 HydrophobicContact CG-CE2 3.89Å; L25-A79 WeakPolarHBondContact CD1-O 3.43Å; L25-A79 HydrophobicContact CD2-CB 4.13Å; L25-A79 HydrophobicContact CG-CB 4.14Å; L25-A82 HydrophobicContact CD1-CB 4.44Å; L25-R83 HydrophobicContact CD1-CB 4.13Å; L25-R83 HydrophobicContact CD2-CB 4.37Å; L25-L103 HydrophobicContact CB-CD2 4.2Å; L25-L103 HydrophobicContact CD1-CD2 3.99Å; L25-E104 CarbonylContact C-O 3.55Å; L25-E104 WeakPolarHBondContact CA-O 3.29Å; L25-F105 HydrophobicContact CD2-CD1 4.06Å; L25-F105 HydrophobicContact CD2-CE1 4.08Å; L25-F105 HydrophobicContact CD2-CG 4.44Å; L25-F105 HydrophobicContact CD2-CZ 4.49Å |
| 26 | F | 93.3 | Very high | 77.9 | Confident | 53 Ų | 53 | 70.7 Ų | 70.7 | 23% | 0.232 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 126 | 163.7 | 173.9 | -106 | 0 | 0 | 0 | 109.7 | S28 I68 F70 L103 E104 A106 | F26-S28 VanDerWaalsContact CE1-CB 3.48Å; F26-I68 HydrophobicContact CE2-CB 3.74Å; F26-I68 HydrophobicContact CE2-CD1 3.94Å; F26-I68 HydrophobicContact CE2-CG1 4.38Å; F26-I68 HydrophobicContact CE2-CG2 3.87Å; F26-I68 HydrophobicContact CZ-CB 4.19Å; F26-I68 HydrophobicContact CZ-CG2 3.81Å; F26-F70 HydrophobicContact CD2-CD1 4.36Å; F26-F70 AromaticContact CD2-CE1 3.76Å; F26-F70 HydrophobicContact CD2-CE1 3.76Å; F26-F70 AromaticContact CD2-CZ 3.95Å; F26-F70 HydrophobicContact CD2-CZ 3.95Å; F26-F70 HydrophobicContact CE2-CZ 4.31Å; F26-L103 WeakPolarHBondContact O-CA 3.46Å; F26-E104 PolarHBondContact N-O 3.11Å; F26-E104 PolarHBondContact O-N 3.19Å; F26-E104 VanDerWaalsContact O-N 3.11Å; F26-A106 HydrophobicContact CB-CB 4.46Å |
| 27 | V | 92.2 | Very high | 80.2 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 119.9 | -178.9 | -166.2 | 0 | 0 | 0 | 0 | 108.6 | L30 L39 F43 I68 G69 V71 I101 L103 | V27-L30 HydrophobicContact CB-CD1 4.47Å; V27-L30 HydrophobicContact CG1-CD1 4.18Å; V27-L30 HydrophobicContact CG1-CD2 3.86Å; V27-L30 HydrophobicContact CG1-CG 4.1Å; V27-L39 HydrophobicContact CB-CD1 4.35Å; V27-L39 HydrophobicContact CG1-CD1 4.2Å; V27-L39 HydrophobicContact CG2-CD1 4.22Å; V27-F43 HydrophobicContact CG2-CE2 4.13Å; V27-F43 HydrophobicContact CG2-CZ 4.22Å; V27-I68 WeakPolarHBondContact O-CA 3.48Å; V27-G69 PolarHBondContact N-O 3.2Å; V27-G69 PolarHBondContact O-N 3.28Å; V27-V71 HydrophobicContact CG2-CG2 3.67Å; V27-I101 HydrophobicContact CG1-CG2 3.48Å; V27-I101 VanDerWaalsContact CG1-CG2 3.48Å; V27-L103 HydrophobicContact CB-CD2 4.35Å; V27-L103 HydrophobicContact CG1-CD2 4.25Å; V27-L103 HydrophobicContact CG2-CD2 3.71Å |
| 28 | S | 89 | Confident | 82.8 | Confident | 20 Ų | 20 | 67.9 Ų | 67.9 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 167.3 | 178.5 | 59.5 | 0 | 0 | 0 | 0 | 111.9 | F26 L30 I101 R102 | F26-S28 VanDerWaalsContact CE1-CB 3.48Å; S28-L30 VanDerWaalsContact C-N 3.34Å; S28-I101 CarbonylContact O-C 3.59Å; S28-I101 WeakPolarHBondContact O-CA 3.28Å; S28-R102 PolarHBondContact N-O 3.16Å; S28-R102 PolarHBondContact O-N 3.23Å; S28-R102 WeakPolarHBondContact OG-CB 3.46Å |
| 29 | G | 85.4 | Confident | 84.9 | Confident | 14 Ų | 14 | 61 Ų | 61 | 14% | 0.144 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 76.6 | 22.4 | -173 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 30 | L | 86.1 | Confident | 87 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | trans | -75.1 | 140 | 176.3 | -64.6 | 173.4 | 0 | 0 | 0 | 110.4 | V27 S28 T34 L39 L54 A66 P67 I101 | V27-L30 HydrophobicContact CB-CD1 4.47Å; V27-L30 HydrophobicContact CG1-CD1 4.18Å; V27-L30 HydrophobicContact CG1-CD2 3.86Å; V27-L30 HydrophobicContact CG1-CG 4.1Å; S28-L30 VanDerWaalsContact C-N 3.34Å; L30-T34 HydrophobicContact CB-CG2 4.34Å; L30-T34 HydrophobicContact CD1-CG2 4.25Å; L30-T34 HydrophobicContact CD2-CG2 4.37Å; L30-L39 HydrophobicContact CD1-CD1 4.32Å; L30-L54 HydrophobicContact CD1-CD1 3.66Å; L30-A66 WeakPolarHBondContact O-CB 3.45Å; L30-P67 HydrophobicContact CB-CG 4.01Å; L30-P67 WeakPolarHBondContact O-CD 3.34Å; L30-I101 HydrophobicContact CD2-CD1 3.99Å; L30-I101 HydrophobicContact CD2-CG1 4.21Å; L30-I101 HydrophobicContact CD2-CG2 4.35Å | ||
| 31 | P | 84.4 | Confident | 88.4 | Confident | 65 Ų | 65 | 54.4 Ų | 54.4 | 42% | 0.422 | 27% | 0.272 | S | S | . | . | trans | -53.5 | 149.9 | 171.2 | -28.7 | 35.8 | 0 | 0 | 0 | 113.3 | D33 T34 P67 | P31-D33 WeakPolarHBondContact CB-OD1 3.33Å; P31-D33 PolarHBondContact O-N 3.37Å; P31-D33 VanDerWaalsContact O-N 3.17Å; P31-T34 VanDerWaalsContact CD-OG1 3.31Å; P31-T34 WeakPolarHBondContact CD-OG1 3.1Å; P31-T34 VanDerWaalsContact O-CB 3.28Å; P31-T34 WeakPolarHBondContact O-CB 3.29Å; P31-T34 PolarHBondContact O-N 3.09Å; P31-T34 PolarHBondContact O-OG1 3.39Å; P31-P67 WeakPolarHBondContact O-CD 3.49Å; P31-P67 WeakPolarHBondContact O-CG 3.3Å | ||
| 32 | L | 82.7 | Confident | 88.7 | Confident | 103 Ų | 103 | 51.7 Ų | 51.7 | 54% | 0.539 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25.4 | -177.4 | -74.7 | 164.9 | 0 | 0 | 0 | 113.8 | L64 | L32-L64 HydrophobicContact CD1-CB 4.25Å; L32-L64 HydrophobicContact CD1-CD2 4.25Å; L32-L64 HydrophobicContact CD2-CB 3.96Å; L32-L64 HydrophobicContact CD2-CD2 4.01Å |
| 33 | D | 83.5 | Confident | 88.8 | Confident | 120 Ų | 120 | 50 Ų | 50 | 64% | 0.642 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 3.8 | 178.4 | 59.9 | -31 | 0 | 0 | 0 | 113.6 | P31 K35 | P31-D33 WeakPolarHBondContact CB-OD1 3.33Å; P31-D33 PolarHBondContact O-N 3.37Å; P31-D33 VanDerWaalsContact O-N 3.17Å; D33-K35 PolarHBondContact O-N 2.53Å |
| 34 | T | 86.3 | Confident | 88.7 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | trans | -58.4 | 126.9 | -178.7 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | L30 P31 E38 L54 | L30-T34 HydrophobicContact CB-CG2 4.34Å; L30-T34 HydrophobicContact CD1-CG2 4.25Å; L30-T34 HydrophobicContact CD2-CG2 4.37Å; P31-T34 VanDerWaalsContact CD-OG1 3.31Å; P31-T34 WeakPolarHBondContact CD-OG1 3.1Å; P31-T34 VanDerWaalsContact O-CB 3.28Å; P31-T34 WeakPolarHBondContact O-CB 3.29Å; P31-T34 PolarHBondContact O-N 3.09Å; P31-T34 PolarHBondContact O-OG1 3.39Å; T34-E38 WeakPolarHBondContact CA-OE2 3.27Å; T34-E38 HydrophobicContact CG2-CB 4.48Å; T34-L54 HydrophobicContact CG2-CD1 4.08Å; T34-L54 HydrophobicContact CG2-CD2 4.43Å; T34-L54 WeakPolarHBondContact O-CD2 3.26Å | ||
| 35 | K | 88.4 | Confident | 88.4 | Confident | 105 Ų | 105 | 57.2 Ų | 57.2 | 46% | 0.457 | 30% | 0.301 | S | S | . | . | trans | -98.5 | 152.9 | 175.7 | -65.8 | 177.1 | 177.5 | 175.5 | 0 | 111.1 | D33 R37 E38 L39 E160 | D33-K35 PolarHBondContact O-N 2.53Å; K35-R37 PolarHBondContact O-N 2.94Å; K35-R37 VanDerWaalsContact O-N 3.09Å; K35-E38 HydrophobicContact CB-CG 4.34Å; K35-E38 PolarHBondContact N-OE2 3.37Å; K35-E38 PolarHBondContact O-N 3.47Å; K35-L39 PolarHBondContact O-N 2.83Å; K35-E160 IonicContact NZ-OE1 2.73Å; K35-E160 PolarHBondContact NZ-OE1 3.38Å | ||
| 36 | P | 89.4 | Confident | 88.2 | Confident | 80 Ų | 80 | 57.7 Ų | 57.7 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -53.7 | -32.8 | 173.5 | -24.5 | 31.9 | 0 | 0 | 0 | 113.5 | E38 L39 Y40 L54 | P36-E38 VanDerWaalsContact C-N 3.33Å; P36-E38 PolarHBondContact O-N 3.42Å; P36-L39 PolarHBondContact O-N 3.39Å; P36-Y40 PolarHBondContact O-N 2.95Å; P36-Y40 VanDerWaalsContact O-N 3.12Å; P36-L54 HydrophobicContact CB-CB 4.29Å; P36-L54 HydrophobicContact CG-CB 4.08Å; P36-L54 HydrophobicContact CG-CD2 4.21Å |
| 37 | R | 87.7 | Confident | 88 | Confident | 109 Ų | 109 | 62.5 Ų | 62.5 | 41% | 0.411 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 177.6 | -178.7 | 61.1 | -177.4 | -155.8 | -1.6 | 112.5 | K35 Y40 L41 | K35-R37 PolarHBondContact O-N 2.94Å; K35-R37 VanDerWaalsContact O-N 3.09Å; R37-Y40 WeakPolarHBondContact O-CB 3.46Å; R37-Y40 PolarHBondContact O-N 3.45Å; R37-L41 HydrophobicContact CG-CD1 4.15Å; R37-L41 HydrophobicContact CG-CG 4.37Å; R37-L41 VanDerWaalsContact O-CG 3.28Å; R37-L41 WeakPolarHBondContact O-CG 3.29Å; R37-L41 PolarHBondContact O-N 3.31Å |
| 38 | E | 89.9 | Confident | 87.8 | Confident | 88 Ų | 88 | 63.4 Ų | 63.4 | 41% | 0.411 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.4 | -38.9 | -179 | -64.7 | 172.2 | 142.4 | 0 | 0 | 110.6 | T34 K35 P36 Y40 L41 L42 | T34-E38 WeakPolarHBondContact CA-OE2 3.27Å; T34-E38 HydrophobicContact CG2-CB 4.48Å; K35-E38 HydrophobicContact CB-CG 4.34Å; K35-E38 PolarHBondContact N-OE2 3.37Å; K35-E38 PolarHBondContact O-N 3.47Å; P36-E38 VanDerWaalsContact C-N 3.33Å; P36-E38 PolarHBondContact O-N 3.42Å; E38-Y40 VanDerWaalsContact C-N 3.34Å; E38-Y40 PolarHBondContact O-N 2.66Å; E38-L41 PolarHBondContact O-N 3.1Å; E38-L42 WeakPolarHBondContact O-CB 3.4Å; E38-L42 PolarHBondContact O-N 2.81Å |
| 39 | L | 89 | Confident | 87.9 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 172.9 | -160.8 | 68 | 0 | 0 | 0 | 111.3 | V27 L30 K35 P36 L42 F43 L54 V71 | V27-L39 HydrophobicContact CB-CD1 4.35Å; V27-L39 HydrophobicContact CG1-CD1 4.2Å; V27-L39 HydrophobicContact CG2-CD1 4.22Å; L30-L39 HydrophobicContact CD1-CD1 4.32Å; K35-L39 PolarHBondContact O-N 2.83Å; P36-L39 PolarHBondContact O-N 3.39Å; L39-L42 PolarHBondContact O-N 2.93Å; L39-F43 HydrophobicContact CD1-CD2 4.15Å; L39-F43 HydrophobicContact CD1-CE2 3.86Å; L39-F43 HydrophobicContact CG-CD2 4.41Å; L39-F43 WeakPolarHBondContact O-CD2 3.47Å; L39-F43 PolarHBondContact O-N 3.25Å; L39-L54 HydrophobicContact CD2-CD1 4.46Å; L39-V71 HydrophobicContact CD1-CG2 4.22Å; L39-V71 HydrophobicContact CD2-CG2 4.23Å; L39-V71 HydrophobicContact CG-CG2 4.08Å |
| 40 | Y | 91.3 | Very high | 88.1 | Confident | 84 Ų | 84 | 68.2 Ų | 68.2 | 33% | 0.329 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.1 | -48.9 | 172.2 | 165 | -98.2 | 0 | 0 | 0 | 111.8 | P36 R37 E38 L42 F43 R44 Y49 S52 | P36-Y40 PolarHBondContact O-N 2.95Å; P36-Y40 VanDerWaalsContact O-N 3.12Å; R37-Y40 WeakPolarHBondContact O-CB 3.46Å; R37-Y40 PolarHBondContact O-N 3.45Å; E38-Y40 VanDerWaalsContact C-N 3.34Å; E38-Y40 PolarHBondContact O-N 2.66Å; Y40-L42 PolarHBondContact O-N 3.31Å; Y40-F43 PolarHBondContact O-N 2.93Å; Y40-R44 HydrophobicContact CD2-CB 4.28Å; Y40-R44 HydrophobicContact CE1-CB 4.41Å; Y40-R44 HydrophobicContact CE2-CB 3.89Å; Y40-R44 WeakPolarHBondContact O-CB 3.5Å; Y40-R44 WeakPolarHBondContact O-CG 3.14Å; Y40-R44 PolarHBondContact O-N 2.8Å; Y40-Y49 AromaticContact CD2-CE1 3.79Å; Y40-Y49 HydrophobicContact CD2-CE1 3.79Å; Y40-Y49 AromaticContact CD2-CZ 3.9Å; Y40-Y49 WeakPolarHBondContact CD2-OH 3.46Å; Y40-Y49 HydrophobicContact CE2-CE1 4.02Å; Y40-S52 PolarHBondContact N-OG 3.27Å |
| 41 | L | 89.4 | Confident | 88.4 | Confident | 74 Ų | 74 | 69.3 Ų | 69.3 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62 | -33 | -178.9 | -71.9 | 175.3 | 0 | 0 | 0 | 112.5 | R37 E38 R44 | R37-L41 HydrophobicContact CG-CD1 4.15Å; R37-L41 HydrophobicContact CG-CG 4.37Å; R37-L41 VanDerWaalsContact O-CG 3.28Å; R37-L41 WeakPolarHBondContact O-CG 3.29Å; R37-L41 PolarHBondContact O-N 3.31Å; E38-L41 PolarHBondContact O-N 3.1Å; L41-R44 VanDerWaalsContact CD2-CZ 3.46Å |
| 42 | L | 88 | Confident | 88.7 | Confident | 52 Ų | 52 | 67.5 Ų | 67.5 | 27% | 0.272 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.7 | -41.3 | 179.7 | -167.1 | 57.9 | 0 | 0 | 0 | 112.3 | E38 L39 Y40 M86 I101 | E38-L42 WeakPolarHBondContact O-CB 3.4Å; E38-L42 PolarHBondContact O-N 2.81Å; L39-L42 PolarHBondContact O-N 2.93Å; Y40-L42 PolarHBondContact O-N 3.31Å; L42-M86 HydrophobicContact CD1-CE 3.62Å; L42-M86 HydrophobicContact CD1-SD 4.21Å; L42-M86 HydrophobicContact CD2-CE 3.58Å; L42-M86 HydrophobicContact CG-CE 3.56Å; L42-M86 HydrophobicContact CG-SD 4.33Å; L42-I101 HydrophobicContact CD2-CD1 4.1Å |
| 43 | F | 90.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -104.1 | -13.7 | -172.8 | -69.6 | -79.4 | 0 | 0 | 0 | 115.1 | V27 L39 Y40 G45 C46 Y49 V71 F73 M86 L103 | V27-F43 HydrophobicContact CG2-CE2 4.13Å; V27-F43 HydrophobicContact CG2-CZ 4.22Å; L39-F43 HydrophobicContact CD1-CD2 4.15Å; L39-F43 HydrophobicContact CD1-CE2 3.86Å; L39-F43 HydrophobicContact CG-CD2 4.41Å; L39-F43 WeakPolarHBondContact O-CD2 3.47Å; L39-F43 PolarHBondContact O-N 3.25Å; Y40-F43 PolarHBondContact O-N 2.93Å; F43-G45 PolarHBondContact O-N 3.27Å; F43-C46 VanDerWaalsContact O-CB 3.26Å; F43-C46 WeakPolarHBondContact O-CB 3.41Å; F43-C46 PolarHBondContact O-N 2.95Å; F43-Y49 HydrophobicContact CB-CD2 3.54Å; F43-Y49 HydrophobicContact CB-CE2 3.69Å; F43-Y49 WeakPolarHBondContact O-CB 3.27Å; F43-V71 HydrophobicContact CB-CG1 3.82Å; F43-V71 HydrophobicContact CD1-CG1 4.05Å; F43-V71 HydrophobicContact CD2-CB 4.37Å; F43-V71 HydrophobicContact CD2-CG1 4.13Å; F43-V71 HydrophobicContact CD2-CG2 3.48Å; F43-V71 VanDerWaalsContact CD2-CG2 3.48Å; F43-V71 HydrophobicContact CE2-CG2 3.65Å; F43-V71 HydrophobicContact CG-CB 4.39Å; F43-V71 HydrophobicContact CG-CG1 3.72Å; F43-V71 HydrophobicContact CG-CG2 3.97Å; F43-V71 HydrophobicContact CZ-CG2 4.25Å; F43-F73 AromaticContact CD1-CZ 3.9Å; F43-F73 HydrophobicContact CD1-CZ 3.9Å; F43-M86 HydrophobicContact CE1-CG 4.03Å; F43-M86 HydrophobicContact CZ-CE 4.38Å; F43-M86 HydrophobicContact CZ-CG 4.49Å; F43-L103 HydrophobicContact CE1-CD1 4.49Å; F43-L103 HydrophobicContact CE1-CD2 4.09Å; F43-L103 HydrophobicContact CZ-CD1 4.31Å; F43-L103 HydrophobicContact CZ-CD2 3.64Å |
| 44 | R | 89.7 | Confident | 89.5 | Confident | 138 Ų | 138 | 62.8 Ų | 62.8 | 52% | 0.521 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -23.6 | -179 | 67 | 177.8 | -176.6 | 161 | 2.9 | 114.9 | Y40 L41 | Y40-R44 HydrophobicContact CD2-CB 4.28Å; Y40-R44 HydrophobicContact CE1-CB 4.41Å; Y40-R44 HydrophobicContact CE2-CB 3.89Å; Y40-R44 WeakPolarHBondContact O-CB 3.5Å; Y40-R44 WeakPolarHBondContact O-CG 3.14Å; Y40-R44 PolarHBondContact O-N 2.8Å; L41-R44 VanDerWaalsContact CD2-CZ 3.46Å |
| 45 | G | 86.7 | Confident | 89.6 | Confident | 73 Ų | 73 | 67.9 Ų | 67.9 | 75% | 0.753 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -8.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F43 | F43-G45 PolarHBondContact O-N 3.27Š|
| 46 | C | 88.2 | Confident | 89.1 | Confident | 10 Ų | 10 | 67.2 Ų | 67.2 | 7% | 0.068 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -76.7 | 137.7 | 176.3 | -57.9 | 0 | 0 | 0 | 0 | 109.4 | F43 G48 Y49 F73 A82 M85 | F43-C46 VanDerWaalsContact O-CB 3.26Å; F43-C46 WeakPolarHBondContact O-CB 3.41Å; F43-C46 PolarHBondContact O-N 2.95Å; C46-G48 PolarHBondContact O-N 2.79Å; C46-Y49 PolarHBondContact O-N 2.99Å; C46-F73 HydrophobicContact CB-CE1 3.72Å; C46-F73 HydrophobicContact CB-CZ 4.41Å; C46-A82 HydrophobicContact CB-CB 4Å; C46-M85 HydrophobicContact CB-CE 4.39Å; C46-M85 WeakPolarHBondContact SG-CE 3.45Å |
| 47 | Q | 89.7 | Confident | 88 | Confident | 155 Ų | 155 | 65.8 Ų | 65.8 | 72% | 0.724 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 138 | 174.2 | -173.1 | 165.6 | 9.6 | 0 | 0 | 110 | Y49 S78 | Q47-Y49 VanDerWaalsContact C-N 3.31Å; Q47-Y49 PolarHBondContact O-N 2.79Å; Q47-S78 WeakPolarHBondContact O-CB 3.39Å |
| 48 | G | 87.6 | Confident | 86.9 | Confident | 19 Ų | 19 | 69.1 Ų | 69.1 | 20% | 0.196 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 10.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | C46 E50 F73 T74 | C46-G48 PolarHBondContact O-N 2.79Å; G48-E50 PolarHBondContact O-N 3.38Å; G48-F73 CarbonylContact O-C 3.48Å; G48-F73 WeakPolarHBondContact O-CA 3.48Å; G48-T74 WeakPolarHBondContact CA-OG1 3.2Å; G48-T74 PolarHBondContact O-N 3.5Å; G48-T74 PolarHBondContact O-OG1 3.46Å |
| 49 | Y | 91.6 | Very high | 85.3 | Confident | 49 Ų | 49 | 72.8 Ų | 72.8 | 19% | 0.192 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 127 | 173.7 | 174 | -93.2 | 0 | 0 | 0 | 112 | Y40 F43 C46 Q47 S52 V71 | Y40-Y49 AromaticContact CD2-CE1 3.79Å; Y40-Y49 HydrophobicContact CD2-CE1 3.79Å; Y40-Y49 AromaticContact CD2-CZ 3.9Å; Y40-Y49 WeakPolarHBondContact CD2-OH 3.46Å; Y40-Y49 HydrophobicContact CE2-CE1 4.02Å; F43-Y49 HydrophobicContact CB-CD2 3.54Å; F43-Y49 HydrophobicContact CB-CE2 3.69Å; F43-Y49 WeakPolarHBondContact O-CB 3.27Å; C46-Y49 PolarHBondContact O-N 2.99Å; Q47-Y49 VanDerWaalsContact C-N 3.31Å; Q47-Y49 PolarHBondContact O-N 2.79Å; Y49-S52 WeakPolarHBondContact OH-CB 3.38Å; Y49-S52 PolarHBondContact OH-N 3.21Å; Y49-S52 VanDerWaalsContact OH-N 3.12Å; Y49-S52 PolarHBondContact OH-OG 3.48Å; Y49-V71 HydrophobicContact CD2-CG1 3.84Å; Y49-V71 HydrophobicContact CE2-CG1 3.85Å |
| 50 | E | 90.7 | Very high | 83.4 | Confident | 85 Ų | 85 | 78 Ų | 78 | 40% | 0.397 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -49.1 | 178.2 | -176.4 | 173.3 | 136 | 0 | 0 | 111.9 | R23 G48 T72 | R23-E50 IonicContact CZ-OE1 2.68Å; R23-E50 IonicContact CZ-OE2 2.73Å; R23-E50 IonicContact NH1-OE1 3.86Å; R23-E50 IonicContact NH1-OE2 3.97Å; R23-E50 PolarHBondContact NH1-OE2 3.1Å; R23-E50 IonicContact NH2-OE1 3.85Å; R23-E50 PolarHBondContact NH2-OE1 2.85Å; R23-E50 IonicContact NH2-OE2 3.26Å; R23-E50 PolarHBondContact NH2-OE2 3.37Å; G48-E50 PolarHBondContact O-N 3.38Å; E50-T72 WeakPolarHBondContact CB-O 3.1Å; E50-T72 PolarHBondContact N-O 3.29Å |
| 51 | S | 90.7 | Very high | 81.4 | Confident | 28 Ų | 28 | 79.4 Ų | 79.4 | 20% | 0.196 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 161.3 | -179.6 | 61 | 0 | 0 | 0 | 0 | 112.3 | V71 T72 | S51-V71 WeakPolarHBondContact O-CA 3.49Å; S51-T72 PolarHBondContact N-O 2.96Å; S51-T72 PolarHBondContact O-N 3.42Å |
| 52 | S | 92.1 | Very high | 79.8 | Confident | 28 Ų | 28 | 82 Ų | 82 | 20% | 0.196 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 138.1 | 170.8 | 59.1 | 0 | 0 | 0 | 0 | 111.2 | Y40 Y49 F70 | Y40-S52 PolarHBondContact N-OG 3.27Å; Y49-S52 WeakPolarHBondContact OH-CB 3.38Å; Y49-S52 PolarHBondContact OH-N 3.21Å; Y49-S52 VanDerWaalsContact OH-N 3.12Å; Y49-S52 PolarHBondContact OH-OG 3.48Å; S52-F70 CarbonylContact C-O 3.46Å; S52-F70 WeakPolarHBondContact CA-O 3.48Å |
| 53 | L | 91.5 | Very high | 78.6 | Confident | 101 Ų | 101 | 88 Ų | 88 | 53% | 0.529 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 126.5 | 178.1 | 179.2 | 66.5 | 0 | 0 | 0 | 109.1 | G69 F70 | L53-G69 CarbonylContact O-C 3.6Å; L53-G69 WeakPolarHBondContact O-CA 3.37Å; L53-F70 HydrophobicContact CB-CB 4.48Å; L53-F70 PolarHBondContact N-O 3.39Å; L53-F70 PolarHBondContact O-N 2.82Å |
| 54 | L | 90.9 | Very high | 77.4 | Confident | 22 Ų | 22 | 95 Ų | 95 | 12% | 0.115 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.3 | 170.1 | -170.2 | 77 | 0 | 0 | 0 | 109.3 | L30 T34 P36 L39 V56 P67 | L30-L54 HydrophobicContact CD1-CD1 3.66Å; T34-L54 HydrophobicContact CG2-CD1 4.08Å; T34-L54 HydrophobicContact CG2-CD2 4.43Å; T34-L54 WeakPolarHBondContact O-CD2 3.26Å; P36-L54 HydrophobicContact CB-CB 4.29Å; P36-L54 HydrophobicContact CG-CB 4.08Å; P36-L54 HydrophobicContact CG-CD2 4.21Å; L39-L54 HydrophobicContact CD2-CD1 4.46Å; L54-V56 HydrophobicContact CD2-CG2 4.23Å; L54-P67 HydrophobicContact CD1-CB 4.15Å; L54-P67 HydrophobicContact CG-CB 4.46Å |
| 55 | K | 87.9 | Confident | 76.4 | Confident | 124 Ų | 124 | 91.1 Ų | 91.1 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 107.4 | 173.3 | 179.4 | 171.9 | -178.6 | 170.1 | 0 | 108.9 | T57 I68 F70 | K55-T57 PolarHBondContact O-N 3.2Å; K55-I68 HydrophobicContact CB-CD1 4.43Å; K55-I68 HydrophobicContact CB-CG1 3.98Å; K55-I68 HydrophobicContact CD-CD1 4.3Å; K55-I68 HydrophobicContact CG-CD1 4.48Å; K55-I68 HydrophobicContact CG-CG1 4.39Å; K55-I68 PolarHBondContact N-O 3.16Å; K55-I68 WeakPolarHBondContact O-CG1 3.45Å; K55-I68 PolarHBondContact O-N 3.43Å; K55-F70 HydrophobicContact CB-CE2 4.49Å |
| 56 | V | 78.9 | Confident | 76.1 | Confident | 91 Ų | 91 | 89.1 Ų | 89.1 | 55% | 0.552 | 49% | 0.485 | S | S | * | . | trans | -79.3 | 110.8 | 172.4 | -174.5 | 0 | 0 | 0 | 0 | 107.6 | L54 Q58 P67 | L54-V56 HydrophobicContact CD2-CG2 4.23Å; V56-Q58 HydrophobicContact CG1-CG 4.24Å; V56-P67 HydrophobicContact CG2-CB 4.37Å | ||
| 57 | T | 66.2 | Low | 76 | Confident | 50 Ų | 50 | 88.7 Ų | 88.7 | 31% | 0.307 | 48% | 0.482 | S | S | . | . | trans | -89.1 | 107.6 | 172.4 | 173.1 | 0 | 0 | 0 | 0 | 108.6 | K55 T65 | K55-T57 PolarHBondContact O-N 3.2Å; T57-T65 VanDerWaalsContact CG2-OG1 3.32Å; T57-T65 WeakPolarHBondContact CG2-OG1 3.44Å; T57-T65 PolarHBondContact O-OG1 2.75Å | ||
| 58 | Q | 63.7 | Low | 76 | Confident | 178 Ų | 178 | 83.2 Ų | 83.2 | 83% | 0.832 | 46% | 0.457 | S | S | * | . | trans | -98.9 | 96.9 | 165.1 | -70.1 | -173.7 | -26.1 | 0 | 0 | 107.4 | V56 S60 | V56-Q58 HydrophobicContact CG1-CG 4.24Å; Q58-S60 PolarHBondContact O-N 3.25Å | ||
| 59 | K | 55.9 | Low | 76.2 | Confident | 165 Ų | 165 | 82.3 Ų | 82.3 | 72% | 0.717 | 45% | 0.448 | S | S | * | . | trans | -82 | 117.5 | 169.8 | -152.9 | 176.3 | -178.7 | -177.2 | 0 | 107.5 | S61 | K59-S61 PolarHBondContact O-N 3.42Š| ||
| 60 | S | 49.1 | Very low | 76.3 | Confident | 111 Ų | 111 | 82.1 Ų | 82.1 | 78% | 0.776 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -51.7 | 131.9 | 175.4 | 55.6 | 0 | 0 | 0 | 0 | 110.8 | Q58 | Q58-S60 PolarHBondContact O-N 3.25Š|
| 61 | S | 50.7 | Low | 76.5 | Confident | 115 Ų | 115 | 78.1 Ų | 78.1 | 80% | 0.804 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 91.4 | 99.9 | 174.4 | -150.6 | 0 | 0 | 0 | 0 | 116.7 | K59 K63 | K59-S61 PolarHBondContact O-N 3.42Å; S61-K63 PolarHBondContact O-N 3.48Å; S61-K63 VanDerWaalsContact O-N 3.08Å |
| 62 | S | 55.5 | Low | 76.5 | Confident | 129 Ų | 129 | 76.8 Ų | 76.8 | 90% | 0.902 | 42% | 0.42 | S | S | * | . | S | Bend | trans | 67 | -9.9 | 156.4 | -156 | 0 | 0 | 0 | 0 | 121.6 | ||
| 63 | K | 63 | Low | 76.6 | Confident | 177 Ų | 177 | 75.5 Ų | 75.5 | 77% | 0.77 | 41% | 0.411 | S | S | * | . | trans | -130.5 | 109.3 | 174.4 | -114.8 | 177.5 | -177.7 | 175.9 | 0 | 111 | S61 T65 | S61-K63 PolarHBondContact O-N 3.48Å; S61-K63 VanDerWaalsContact O-N 3.08Å; K63-T65 PolarHBondContact O-N 3.33Å | ||
| 64 | L | 64.3 | Low | 76.6 | Confident | 148 Ų | 148 | 74.9 Ų | 74.9 | 78% | 0.775 | 41% | 0.412 | S | S | * | . | trans | -62.6 | 115.5 | 169.3 | -80.8 | 116.7 | 0 | 0 | 0 | 109 | L32 | L32-L64 HydrophobicContact CD1-CB 4.25Å; L32-L64 HydrophobicContact CD1-CD2 4.25Å; L32-L64 HydrophobicContact CD2-CB 3.96Å; L32-L64 HydrophobicContact CD2-CD2 4.01Å | ||
| 65 | T | 70 | Confident | 76.5 | Confident | 56 Ų | 56 | 76.2 Ų | 76.2 | 34% | 0.344 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 127.1 | 171.9 | 41.4 | 0 | 0 | 0 | 0 | 109.5 | T57 K63 | T57-T65 VanDerWaalsContact CG2-OG1 3.32Å; T57-T65 WeakPolarHBondContact CG2-OG1 3.44Å; T57-T65 PolarHBondContact O-OG1 2.75Å; K63-T65 PolarHBondContact O-N 3.33Å |
| 66 | A | 79.7 | Confident | 76.6 | Confident | 30 Ų | 30 | 74.8 Ų | 74.8 | 25% | 0.248 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -51 | 141.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L30 | L30-A66 WeakPolarHBondContact O-CB 3.45Š|
| 67 | P | 86.1 | Confident | 77.2 | Confident | 2 Ų | 2 | 76.7 Ų | 76.7 | 1% | 0.013 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 153.2 | 176.2 | 26 | -33.2 | 0 | 0 | 0 | 111 | L30 P31 L54 V56 | L30-P67 HydrophobicContact CB-CG 4.01Å; L30-P67 WeakPolarHBondContact O-CD 3.34Å; P31-P67 WeakPolarHBondContact O-CD 3.49Å; P31-P67 WeakPolarHBondContact O-CG 3.3Å; L54-P67 HydrophobicContact CD1-CB 4.15Å; L54-P67 HydrophobicContact CG-CB 4.46Å; V56-P67 HydrophobicContact CG2-CB 4.37Å |
| 68 | I | 89.7 | Confident | 78.3 | Confident | 39 Ų | 39 | 74.6 Ų | 74.6 | 20% | 0.2 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 144.3 | 176.8 | 58 | 170.5 | 0 | 0 | 0 | 109.6 | F26 V27 K55 F70 | F26-I68 HydrophobicContact CE2-CB 3.74Å; F26-I68 HydrophobicContact CE2-CD1 3.94Å; F26-I68 HydrophobicContact CE2-CG1 4.38Å; F26-I68 HydrophobicContact CE2-CG2 3.87Å; F26-I68 HydrophobicContact CZ-CB 4.19Å; F26-I68 HydrophobicContact CZ-CG2 3.81Å; V27-I68 WeakPolarHBondContact O-CA 3.48Å; K55-I68 HydrophobicContact CB-CD1 4.43Å; K55-I68 HydrophobicContact CB-CG1 3.98Å; K55-I68 HydrophobicContact CD-CD1 4.3Å; K55-I68 HydrophobicContact CG-CD1 4.48Å; K55-I68 HydrophobicContact CG-CG1 4.39Å; K55-I68 PolarHBondContact N-O 3.16Å; K55-I68 WeakPolarHBondContact O-CG1 3.45Å; K55-I68 PolarHBondContact O-N 3.43Å; I68-F70 HydrophobicContact CD1-CE2 4.05Å; I68-F70 HydrophobicContact CD1-CZ 4.22Å; I68-F70 HydrophobicContact CG1-CE2 4.43Å |
| 69 | G | 92 | Very high | 79.7 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 155.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V27 L53 | V27-G69 PolarHBondContact N-O 3.2Å; V27-G69 PolarHBondContact O-N 3.28Å; L53-G69 CarbonylContact O-C 3.6Å; L53-G69 WeakPolarHBondContact O-CA 3.37Å |
| 70 | F | 94.1 | Very high | 81.4 | Confident | 46 Ų | 46 | 62 Ų | 62 | 20% | 0.202 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129 | 167.3 | -62.9 | -89.3 | 0 | 0 | 0 | 108.3 | T24 L25 F26 S52 L53 K55 I68 A106 T110 | T24-F70 HydrophobicContact CG2-CB 4Å; T24-F70 HydrophobicContact CG2-CD1 4.2Å; L25-F70 CarbonylContact O-C 3.5Å; L25-F70 VanDerWaalsContact O-CA 3.31Å; L25-F70 WeakPolarHBondContact O-CA 3.21Å; F26-F70 HydrophobicContact CD2-CD1 4.36Å; F26-F70 AromaticContact CD2-CE1 3.76Å; F26-F70 HydrophobicContact CD2-CE1 3.76Å; F26-F70 AromaticContact CD2-CZ 3.95Å; F26-F70 HydrophobicContact CD2-CZ 3.95Å; F26-F70 HydrophobicContact CE2-CZ 4.31Å; S52-F70 CarbonylContact C-O 3.46Å; S52-F70 WeakPolarHBondContact CA-O 3.48Å; L53-F70 HydrophobicContact CB-CB 4.48Å; L53-F70 PolarHBondContact N-O 3.39Å; L53-F70 PolarHBondContact O-N 2.82Å; K55-F70 HydrophobicContact CB-CE2 4.49Å; I68-F70 HydrophobicContact CD1-CE2 4.05Å; I68-F70 HydrophobicContact CD1-CZ 4.22Å; I68-F70 HydrophobicContact CG1-CE2 4.43Å; F70-A106 HydrophobicContact CD1-CB 4.27Å; F70-A106 HydrophobicContact CE1-CB 4.48Å; F70-T110 HydrophobicContact CB-CG2 3.59Å; F70-T110 HydrophobicContact CD1-CG2 4.17Å; F70-T110 HydrophobicContact CG-CG2 3.99Å |
| 71 | V | 93.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 120.9 | -178.5 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | T24 L25 V27 L39 F43 Y49 S51 F73 | T24-V71 CarbonylContact C-O 3.55Å; T24-V71 VanDerWaalsContact CA-O 3.24Å; T24-V71 WeakPolarHBondContact CA-O 3.22Å; L25-V71 PolarHBondContact N-O 2.83Å; L25-V71 PolarHBondContact O-N 3.38Å; V27-V71 HydrophobicContact CG2-CG2 3.67Å; L39-V71 HydrophobicContact CD1-CG2 4.22Å; L39-V71 HydrophobicContact CD2-CG2 4.23Å; L39-V71 HydrophobicContact CG-CG2 4.08Å; F43-V71 HydrophobicContact CB-CG1 3.82Å; F43-V71 HydrophobicContact CD1-CG1 4.05Å; F43-V71 HydrophobicContact CD2-CB 4.37Å; F43-V71 HydrophobicContact CD2-CG1 4.13Å; F43-V71 HydrophobicContact CD2-CG2 3.48Å; F43-V71 VanDerWaalsContact CD2-CG2 3.48Å; F43-V71 HydrophobicContact CE2-CG2 3.65Å; F43-V71 HydrophobicContact CG-CB 4.39Å; F43-V71 HydrophobicContact CG-CG1 3.72Å; F43-V71 HydrophobicContact CG-CG2 3.97Å; F43-V71 HydrophobicContact CZ-CG2 4.25Å; Y49-V71 HydrophobicContact CD2-CG1 3.84Å; Y49-V71 HydrophobicContact CE2-CG1 3.85Å; S51-V71 WeakPolarHBondContact O-CA 3.49Å; V71-F73 HydrophobicContact CB-CE2 4.06Å; V71-F73 HydrophobicContact CG1-CD2 4.25Å; V71-F73 HydrophobicContact CG1-CE2 3.47Å; V71-F73 VanDerWaalsContact CG1-CE2 3.47Å; V71-F73 HydrophobicContact CG1-CZ 3.65Å |
| 72 | T | 92.7 | Very high | 85.1 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 134 | -176.1 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | R23 T24 E50 S51 T110 | R23-T72 HydrophobicContact CG-CG2 3.92Å; T24-T72 PolarHBondContact OG1-OG1 3.42Å; E50-T72 WeakPolarHBondContact CB-O 3.1Å; E50-T72 PolarHBondContact N-O 3.29Å; S51-T72 PolarHBondContact N-O 2.96Å; S51-T72 PolarHBondContact O-N 3.42Å; T72-T110 PolarHBondContact OG1-OG1 3.17Å |
| 73 | F | 93.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 161.8 | 179.3 | -64.6 | -95.9 | 0 | 0 | 0 | 112.1 | R23 L25 F43 C46 G48 V71 S75 S78 A79 A82 | R23-F73 WeakPolarHBondContact CB-O 3.49Å; R23-F73 VanDerWaalsContact CD-O 3.24Å; R23-F73 WeakPolarHBondContact CD-O 3.49Å; R23-F73 WeakPolarHBondContact CG-O 3.25Å; R23-F73 PolarHBondContact NH1-O 2.89Å; R23-F73 PolarHBondContact O-N 3.31Å; L25-F73 HydrophobicContact CB-CE2 4.49Å; L25-F73 HydrophobicContact CD1-CE2 3.66Å; L25-F73 HydrophobicContact CD1-CZ 4.25Å; L25-F73 HydrophobicContact CG-CD2 4.37Å; L25-F73 HydrophobicContact CG-CE2 3.89Å; F43-F73 AromaticContact CD1-CZ 3.9Å; F43-F73 HydrophobicContact CD1-CZ 3.9Å; C46-F73 HydrophobicContact CB-CE1 3.72Å; C46-F73 HydrophobicContact CB-CZ 4.41Å; G48-F73 CarbonylContact O-C 3.48Å; G48-F73 WeakPolarHBondContact O-CA 3.48Å; V71-F73 HydrophobicContact CB-CE2 4.06Å; V71-F73 HydrophobicContact CG1-CD2 4.25Å; V71-F73 HydrophobicContact CG1-CE2 3.47Å; V71-F73 VanDerWaalsContact CG1-CE2 3.47Å; V71-F73 HydrophobicContact CG1-CZ 3.65Å; F73-S75 VanDerWaalsContact C-N 3.3Å; F73-S75 PolarHBondContact O-N 2.86Å; F73-S78 WeakPolarHBondContact CB-OG 3.37Å; F73-A79 HydrophobicContact CB-CB 4.09Å; F73-A79 HydrophobicContact CD2-CB 3.59Å; F73-A79 HydrophobicContact CE2-CB 4.27Å; F73-A79 HydrophobicContact CG-CB 3.96Å; F73-A82 HydrophobicContact CD1-CB 4.43Å; F73-A82 HydrophobicContact CE1-CB 3.49Å; F73-A82 VanDerWaalsContact CE1-CB 3.49Å; F73-A82 HydrophobicContact CE2-CB 4.17Å; F73-A82 HydrophobicContact CZ-CB 3.34Å |
| 74 | T | 90.8 | Very high | 87.8 | Confident | 89 Ų | 89 | 50.3 Ų | 50.3 | 55% | 0.546 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -66.6 | -30.2 | 179.3 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | G48 | G48-T74 WeakPolarHBondContact CA-OG1 3.2Å; G48-T74 PolarHBondContact O-N 3.5Å; G48-T74 PolarHBondContact O-OG1 3.46Å |
| 75 | S | 89.2 | Confident | 88.7 | Confident | 50 Ų | 50 | 48.3 Ų | 48.3 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -142.3 | 157.8 | 177.6 | 69.4 | 0 | 0 | 0 | 0 | 111.7 | F73 Q77 S78 A79 | F73-S75 VanDerWaalsContact C-N 3.3Å; F73-S75 PolarHBondContact O-N 2.86Å; S75-Q77 VanDerWaalsContact C-N 3.32Å; S75-Q77 PolarHBondContact O-N 3.4Å; S75-S78 PolarHBondContact N-OG 3.5Å; S75-S78 PolarHBondContact O-N 3.12Å; S75-S78 PolarHBondContact O-OG 3.25Å; S75-S78 WeakPolarHBondContact OG-CB 3.25Å; S75-S78 PolarHBondContact OG-N 3.27Å; S75-S78 PolarHBondContact OG-OG 3.2Å; S75-S78 VanDerWaalsContact OG-OG 3.05Å; S75-A79 PolarHBondContact O-N 2.84Å |
| 76 | R | 91.2 | Very high | 89.1 | Confident | 94 Ų | 94 | 46.5 Ų | 46.5 | 36% | 0.355 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 173.4 | -179.8 | -176.8 | -177.5 | 153.3 | 3.5 | 111.8 | E21 S78 A79 E80 F105 | E21-R76 HydrophobicContact CG-CB 3.84Å; E21-R76 VanDerWaalsContact CG-CD 3.45Å; E21-R76 HydrophobicContact CG-CG 4.2Å; E21-R76 WeakPolarHBondContact OE1-CD 3.29Å; E21-R76 IonicContact OE1-CZ 3.35Å; E21-R76 IonicContact OE1-NE 3.93Å; E21-R76 IonicContact OE1-NH1 3.5Å; E21-R76 PolarHBondContact OE1-NH1 3.41Å; E21-R76 WeakPolarHBondContact OE2-CB 3.2Å; R76-S78 VanDerWaalsContact C-N 3.28Å; R76-S78 PolarHBondContact O-N 2.97Å; R76-A79 CarbonylContact O-C 3.56Å; R76-A79 WeakPolarHBondContact O-CA 3.24Å; R76-A79 VanDerWaalsContact O-CB 3.32Å; R76-A79 WeakPolarHBondContact O-CB 3.28Å; R76-A79 PolarHBondContact O-N 2.86Å; R76-E80 HydrophobicContact CG-CG 4.2Å; R76-E80 IonicContact CZ-OE1 3.27Å; R76-E80 IonicContact NE-OE1 2.85Å; R76-E80 PolarHBondContact NE-OE1 3.34Å; R76-E80 IonicContact NH2-OE1 3.04Å; R76-E80 PolarHBondContact O-N 2.82Å; R76-F105 HydrophobicContact CG-CE1 3.95Å; R76-F105 HydrophobicContact CG-CZ 3.72Å |
| 77 | Q | 91.1 | Very high | 88.7 | Confident | 131 Ų | 131 | 48.1 Ų | 48.1 | 61% | 0.612 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -54 | -46.1 | 178.5 | -175.1 | 176.6 | 5.2 | 0 | 0 | 111.6 | S75 A79 E80 E81 | S75-Q77 VanDerWaalsContact C-N 3.32Å; S75-Q77 PolarHBondContact O-N 3.4Å; Q77-A79 VanDerWaalsContact C-N 3.29Å; Q77-A79 PolarHBondContact O-N 3.46Å; Q77-E80 PolarHBondContact O-N 3.36Å; Q77-E80 VanDerWaalsContact O-N 3.12Å; Q77-E81 WeakPolarHBondContact O-CG 3.47Å; Q77-E81 PolarHBondContact O-N 3.44Å |
| 78 | S | 89.2 | Confident | 87.4 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.1 | -32 | 176.4 | 60.9 | 0 | 0 | 0 | 0 | 113.5 | Q47 F73 S75 R76 A82 | Q47-S78 WeakPolarHBondContact O-CB 3.39Å; F73-S78 WeakPolarHBondContact CB-OG 3.37Å; S75-S78 PolarHBondContact N-OG 3.5Å; S75-S78 PolarHBondContact O-N 3.12Å; S75-S78 PolarHBondContact O-OG 3.25Å; S75-S78 WeakPolarHBondContact OG-CB 3.25Å; S75-S78 PolarHBondContact OG-N 3.27Å; S75-S78 PolarHBondContact OG-OG 3.2Å; S75-S78 VanDerWaalsContact OG-OG 3.05Å; R76-S78 VanDerWaalsContact C-N 3.28Å; R76-S78 PolarHBondContact O-N 2.97Å; S78-A82 WeakPolarHBondContact O-CB 3.33Å; S78-A82 PolarHBondContact O-N 3.19Å |
| 79 | A | 91.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.1 | -37.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L25 F73 S75 R76 Q77 R83 F105 | L25-A79 WeakPolarHBondContact CD1-O 3.43Å; L25-A79 HydrophobicContact CD2-CB 4.13Å; L25-A79 HydrophobicContact CG-CB 4.14Å; F73-A79 HydrophobicContact CB-CB 4.09Å; F73-A79 HydrophobicContact CD2-CB 3.59Å; F73-A79 HydrophobicContact CE2-CB 4.27Å; F73-A79 HydrophobicContact CG-CB 3.96Å; S75-A79 PolarHBondContact O-N 2.84Å; R76-A79 CarbonylContact O-C 3.56Å; R76-A79 WeakPolarHBondContact O-CA 3.24Å; R76-A79 VanDerWaalsContact O-CB 3.32Å; R76-A79 WeakPolarHBondContact O-CB 3.28Å; R76-A79 PolarHBondContact O-N 2.86Å; Q77-A79 VanDerWaalsContact C-N 3.29Å; Q77-A79 PolarHBondContact O-N 3.46Å; A79-R83 WeakPolarHBondContact O-CB 3.18Å; A79-R83 PolarHBondContact O-N 3.22Å; A79-F105 HydrophobicContact CB-CE1 3.97Å; A79-F105 HydrophobicContact CB-CZ 4.41Å |
| 80 | E | 91.8 | Very high | 83.9 | Confident | 77 Ų | 77 | 61.5 Ų | 61.5 | 36% | 0.36 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.6 | -44.4 | 176.1 | -66 | -174.8 | 166.6 | 0 | 0 | 111.6 | R76 Q77 R83 L84 F105 | R76-E80 HydrophobicContact CG-CG 4.2Å; R76-E80 IonicContact CZ-OE1 3.27Å; R76-E80 IonicContact NE-OE1 2.85Å; R76-E80 PolarHBondContact NE-OE1 3.34Å; R76-E80 IonicContact NH2-OE1 3.04Å; R76-E80 PolarHBondContact O-N 2.82Å; Q77-E80 PolarHBondContact O-N 3.36Å; Q77-E80 VanDerWaalsContact O-N 3.12Å; E80-R83 WeakPolarHBondContact O-CB 3.4Å; E80-R83 PolarHBondContact O-N 2.81Å; E80-L84 WeakPolarHBondContact O-CG 3.44Å; E80-L84 PolarHBondContact O-N 2.82Å; E80-F105 HydrophobicContact CG-CE2 3.79Å; E80-F105 HydrophobicContact CG-CZ 3.43Å; E80-F105 VanDerWaalsContact CG-CZ 3.43Å |
| 81 | E | 88.9 | Confident | 81.7 | Confident | 85 Ų | 85 | 66.1 Ų | 66.1 | 40% | 0.397 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 174.8 | -71.5 | 172.7 | -173.2 | 0 | 0 | 111.3 | Q77 R83 L84 M85 | Q77-E81 WeakPolarHBondContact O-CG 3.47Å; Q77-E81 PolarHBondContact O-N 3.44Å; E81-R83 VanDerWaalsContact C-N 3.31Å; E81-R83 PolarHBondContact O-N 2.84Å; E81-L84 PolarHBondContact O-N 2.79Å; E81-M85 WeakPolarHBondContact O-CB 3.3Å; E81-M85 PolarHBondContact O-N 2.98Å |
| 82 | A | 89.6 | Confident | 78.9 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 2% | 0.017 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L25 C46 F73 S78 M86 | L25-A82 HydrophobicContact CD1-CB 4.44Å; C46-A82 HydrophobicContact CB-CB 4Å; F73-A82 HydrophobicContact CD1-CB 4.43Å; F73-A82 HydrophobicContact CE1-CB 3.49Å; F73-A82 VanDerWaalsContact CE1-CB 3.49Å; F73-A82 HydrophobicContact CE2-CB 4.17Å; F73-A82 HydrophobicContact CZ-CB 3.34Å; S78-A82 WeakPolarHBondContact O-CB 3.33Å; S78-A82 PolarHBondContact O-N 3.19Å; A82-M86 WeakPolarHBondContact O-CB 3.33Å; A82-M86 VanDerWaalsContact O-CG 3.28Å; A82-M86 WeakPolarHBondContact O-CG 3.32Å; A82-M86 PolarHBondContact O-N 2.87Å; A82-M86 VanDerWaalsContact O-N 3.15Å |
| 83 | R | 89.2 | Confident | 76.2 | Confident | 85 Ų | 85 | 78 Ų | 78 | 32% | 0.321 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.1 | -48.5 | 174.9 | 178.1 | -175.6 | 176.2 | -157.4 | -2.8 | 111.3 | L25 A79 E80 E81 M86 Q87 L103 | L25-R83 HydrophobicContact CD1-CB 4.13Å; L25-R83 HydrophobicContact CD2-CB 4.37Å; A79-R83 WeakPolarHBondContact O-CB 3.18Å; A79-R83 PolarHBondContact O-N 3.22Å; E80-R83 WeakPolarHBondContact O-CB 3.4Å; E80-R83 PolarHBondContact O-N 2.81Å; E81-R83 VanDerWaalsContact C-N 3.31Å; E81-R83 PolarHBondContact O-N 2.84Å; R83-M86 PolarHBondContact O-N 3.42Å; R83-Q87 HydrophobicContact CG-CG 4.44Å; R83-Q87 VanDerWaalsContact NE-NE2 3.15Å; R83-Q87 WeakPolarHBondContact O-CB 3.07Å; R83-Q87 VanDerWaalsContact O-CG 3.3Å; R83-Q87 WeakPolarHBondContact O-CG 3.43Å; R83-Q87 PolarHBondContact O-N 2.9Å; R83-L103 HydrophobicContact CG-CB 4.04Å; R83-L103 PolarHBondContact NE-O 2.82Å |
| 84 | L | 86.5 | Confident | 73.4 | Confident | 116 Ų | 116 | 82.3 Ų | 82.3 | 61% | 0.607 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.2 | -46.7 | 179.4 | -73.2 | 170.5 | 0 | 0 | 0 | 111.6 | E80 E81 M86 Q87 A88 | E80-L84 WeakPolarHBondContact O-CG 3.44Å; E80-L84 PolarHBondContact O-N 2.82Å; E81-L84 PolarHBondContact O-N 2.79Å; L84-M86 VanDerWaalsContact C-N 3.27Å; L84-M86 PolarHBondContact O-N 2.87Å; L84-Q87 PolarHBondContact O-N 2.7Å; L84-A88 WeakPolarHBondContact O-CB 3.36Å; L84-A88 PolarHBondContact O-N 2.81Å |
| 85 | M | 82.9 | Confident | 70.7 | Confident | 106 Ų | 106 | 82.4 Ų | 82.4 | 52% | 0.522 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.4 | -40.6 | 179.2 | -175.7 | 176.3 | 67.4 | 0 | 0 | 112.1 | C46 E81 R89 | C46-M85 HydrophobicContact CB-CE 4.39Å; C46-M85 WeakPolarHBondContact SG-CE 3.45Å; E81-M85 WeakPolarHBondContact O-CB 3.3Å; E81-M85 PolarHBondContact O-N 2.98Å; M85-R89 PolarHBondContact O-N 2.84Å |
| 86 | M | 77.1 | Confident | 68.1 | Low | 18 Ų | 18 | 87.3 Ų | 87.3 | 9% | 0.089 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -79.7 | -36.1 | -178.2 | -74.7 | -65.1 | -67.4 | 0 | 0 | 113.4 | L42 F43 A82 R83 L84 A88 R89 S90 L103 | L42-M86 HydrophobicContact CD1-CE 3.62Å; L42-M86 HydrophobicContact CD1-SD 4.21Å; L42-M86 HydrophobicContact CD2-CE 3.58Å; L42-M86 HydrophobicContact CG-CE 3.56Å; L42-M86 HydrophobicContact CG-SD 4.33Å; F43-M86 HydrophobicContact CE1-CG 4.03Å; F43-M86 HydrophobicContact CZ-CE 4.38Å; F43-M86 HydrophobicContact CZ-CG 4.49Å; A82-M86 WeakPolarHBondContact O-CB 3.33Å; A82-M86 VanDerWaalsContact O-CG 3.28Å; A82-M86 WeakPolarHBondContact O-CG 3.32Å; A82-M86 PolarHBondContact O-N 2.87Å; A82-M86 VanDerWaalsContact O-N 3.15Å; R83-M86 PolarHBondContact O-N 3.42Å; L84-M86 VanDerWaalsContact C-N 3.27Å; L84-M86 PolarHBondContact O-N 2.87Å; M86-A88 VanDerWaalsContact C-N 3.32Å; M86-R89 WeakPolarHBondContact O-CB 2.88Å; M86-R89 PolarHBondContact O-N 2.73Å; M86-S90 PolarHBondContact O-N 3.19Å; M86-L103 HydrophobicContact CB-CD1 3.18Å; M86-L103 HydrophobicContact CG-CD1 3.89Å |
| 87 | Q | 71.8 | Confident | 65.7 | Low | 64 Ų | 64 | 90.3 Ų | 90.3 | 30% | 0.299 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 172.9 | -73.9 | -177.6 | -1.2 | 0 | 0 | 111 | R83 L84 R89 S90 I91 L103 | R83-Q87 HydrophobicContact CG-CG 4.44Å; R83-Q87 VanDerWaalsContact NE-NE2 3.15Å; R83-Q87 WeakPolarHBondContact O-CB 3.07Å; R83-Q87 VanDerWaalsContact O-CG 3.3Å; R83-Q87 WeakPolarHBondContact O-CG 3.43Å; R83-Q87 PolarHBondContact O-N 2.9Å; L84-Q87 PolarHBondContact O-N 2.7Å; Q87-R89 VanDerWaalsContact C-N 3.25Å; Q87-R89 PolarHBondContact O-N 3.26Å; Q87-S90 PolarHBondContact O-N 2.85Å; Q87-S90 VanDerWaalsContact O-N 3.09Å; Q87-S90 PolarHBondContact O-OG 2.75Å; Q87-I91 PolarHBondContact O-N 3.1Å; Q87-L103 PolarHBondContact NE2-O 3.48Å |
| 88 | A | 59.4 | Low | 63.5 | Low | 66 Ų | 66 | 89.7 Ų | 89.7 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.7 | -36.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L84 M86 S90 I91 | L84-A88 WeakPolarHBondContact O-CB 3.36Å; L84-A88 PolarHBondContact O-N 2.81Å; M86-A88 VanDerWaalsContact C-N 3.32Å; A88-S90 PolarHBondContact O-N 2.95Å; A88-I91 PolarHBondContact O-N 2.9Å |
| 89 | R | 55.7 | Low | 62 | Low | 191 Ų | 191 | 95.6 Ų | 95.6 | 72% | 0.721 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.1 | -21.3 | 177.5 | -148.8 | 176.7 | -166.2 | -179.7 | 4 | 113.9 | M85 M86 Q87 | M85-R89 PolarHBondContact O-N 2.84Å; M86-R89 WeakPolarHBondContact O-CB 2.88Å; M86-R89 PolarHBondContact O-N 2.73Å; Q87-R89 VanDerWaalsContact C-N 3.25Å; Q87-R89 PolarHBondContact O-N 3.26Å |
| 90 | S | 52 | Low | 60.7 | Low | 64 Ų | 64 | 98.5 Ų | 98.5 | 45% | 0.448 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -88.4 | -10.4 | 176.5 | 67.2 | 0 | 0 | 0 | 0 | 114.3 | M86 Q87 A88 | M86-S90 PolarHBondContact O-N 3.19Å; Q87-S90 PolarHBondContact O-N 2.85Å; Q87-S90 VanDerWaalsContact O-N 3.09Å; Q87-S90 PolarHBondContact O-OG 2.75Å; A88-S90 PolarHBondContact O-N 2.95Å |
| 91 | I | 48.5 | Very low | 60.2 | Low | 143 Ų | 143 | 97.4 Ų | 97.4 | 73% | 0.733 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -104.8 | -10.2 | -174.3 | -66.5 | 171 | 0 | 0 | 0 | 112.3 | Q87 A88 E93 | Q87-I91 PolarHBondContact O-N 3.1Å; A88-I91 PolarHBondContact O-N 2.9Å; I91-E93 PolarHBondContact O-N 3.37Å |
| 92 | G | 35.5 | Very low | 60 | Low | 57 Ų | 57 | 100.3 Ų | 100.3 | 59% | 0.588 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -88.5 | 107.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 93 | E | 35.6 | Very low | 60.1 | Low | 194 Ų | 194 | 100.4 Ų | 100.4 | 91% | 0.907 | 56% | 0.563 | S | S | * | * | S | Bend | trans | 61.5 | 124.3 | 157 | -56.3 | -164.2 | 160.6 | 0 | 0 | 119.5 | I91 | I91-E93 PolarHBondContact O-N 3.37Š|
| 94 | A | 33.5 | Very low | 60.2 | Low | 90 Ų | 90 | 100.3 Ų | 100.3 | 74% | 0.744 | 57% | 0.566 | S | S | * | * | trans | 85.5 | 97.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | N96 | A94-N96 VanDerWaalsContact C-N 3.3Å; A94-N96 PolarHBondContact O-N 3.2Å | ||
| 95 | G | 35.1 | Very low | 60.5 | Low | 91 Ų | 91 | 97.2 Ų | 97.2 | 94% | 0.938 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -73.2 | 64 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 96 | N | 33.9 | Very low | 60.9 | Low | 153 Ų | 153 | 92.6 Ų | 92.6 | 82% | 0.818 | 53% | 0.527 | S | S | * | . | trans | -160.2 | 41.5 | 166.2 | -141.7 | -10.9 | 0 | 0 | 0 | 114.5 | A94 | A94-N96 VanDerWaalsContact C-N 3.3Å; A94-N96 PolarHBondContact O-N 3.2Å | ||
| 97 | L | 40.6 | Very low | 61.4 | Low | 158 Ų | 158 | 104 Ų | 104 | 83% | 0.827 | 57% | 0.569 | S | S | * | * | trans | -91.1 | 124.3 | 172.3 | -115.2 | 77.1 | 0 | 0 | 0 | 111.4 | Q99 | L97-Q99 PolarHBondContact O-N 3.3Š| ||
| 98 | P | 45.1 | Very low | 62.1 | Low | 118 Ų | 118 | 104.7 Ų | 104.7 | 77% | 0.766 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -71.9 | 123.3 | 176 | 29.9 | -30 | 0 | 0 | 0 | 109 | ||
| 99 | Q | 56.9 | Low | 63.3 | Low | 129 Ų | 129 | 102.2 Ų | 102.2 | 60% | 0.603 | 56% | 0.558 | S | S | * | * | S | Bend | trans | 65 | 83.1 | 166.7 | -158.3 | 165 | 18.4 | 0 | 0 | 116 | L97 I101 | L97-Q99 PolarHBondContact O-N 3.3Å; Q99-I101 PolarHBondContact O-N 3.27Å |
| 100 | A | 65.9 | Low | 64.2 | Low | 61 Ų | 61 | 94.5 Ų | 94.5 | 50% | 0.504 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 133.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R102 | A100-R102 PolarHBondContact O-N 3.37Š|
| 101 | I | 80.1 | Confident | 64.8 | Low | 54 Ų | 54 | 101.5 Ų | 101.5 | 28% | 0.277 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 125.6 | 172.7 | -61.9 | 175.2 | 0 | 0 | 0 | 108.5 | V27 S28 L30 L42 Q99 | V27-I101 HydrophobicContact CG1-CG2 3.48Å; V27-I101 VanDerWaalsContact CG1-CG2 3.48Å; S28-I101 CarbonylContact O-C 3.59Å; S28-I101 WeakPolarHBondContact O-CA 3.28Å; L30-I101 HydrophobicContact CD2-CD1 3.99Å; L30-I101 HydrophobicContact CD2-CG1 4.21Å; L30-I101 HydrophobicContact CD2-CG2 4.35Å; L42-I101 HydrophobicContact CD2-CD1 4.1Å; Q99-I101 PolarHBondContact O-N 3.27Å |
| 102 | R | 85.9 | Confident | 65.1 | Low | 147 Ų | 147 | 98.3 Ų | 98.3 | 56% | 0.555 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 132.4 | 179.3 | -70.2 | 178.1 | 61.7 | -168.1 | -2.8 | 110.7 | S28 A100 E104 | S28-R102 PolarHBondContact N-O 3.16Å; S28-R102 PolarHBondContact O-N 3.23Å; S28-R102 WeakPolarHBondContact OG-CB 3.46Å; A100-R102 PolarHBondContact O-N 3.37Å; R102-E104 IonicContact CZ-OE1 2.83Å; R102-E104 IonicContact NE-OE1 3.44Å; R102-E104 IonicContact NH2-OE1 3.49Å; R102-E104 PolarHBondContact NH2-OE1 3.29Å |
| 103 | L | 91.2 | Very high | 65.2 | Low | 4 Ų | 4 | 100.6 Ų | 100.6 | 2% | 0.021 | 55% | 0.549 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.2 | -179.5 | -72.7 | 154.7 | 0 | 0 | 0 | 110.3 | L25 F26 V27 F43 R83 M86 Q87 | L25-L103 HydrophobicContact CB-CD2 4.2Å; L25-L103 HydrophobicContact CD1-CD2 3.99Å; F26-L103 WeakPolarHBondContact O-CA 3.46Å; V27-L103 HydrophobicContact CB-CD2 4.35Å; V27-L103 HydrophobicContact CG1-CD2 4.25Å; V27-L103 HydrophobicContact CG2-CD2 3.71Å; F43-L103 HydrophobicContact CE1-CD1 4.49Å; F43-L103 HydrophobicContact CE1-CD2 4.09Å; F43-L103 HydrophobicContact CZ-CD1 4.31Å; F43-L103 HydrophobicContact CZ-CD2 3.64Å; R83-L103 HydrophobicContact CG-CB 4.04Å; R83-L103 PolarHBondContact NE-O 2.82Å; M86-L103 HydrophobicContact CB-CD1 3.18Å; M86-L103 HydrophobicContact CG-CD1 3.89Å; Q87-L103 PolarHBondContact NE2-O 3.48Å |
| 104 | E | 91.5 | Very high | 65.5 | Low | 82 Ų | 82 | 102.5 Ų | 102.5 | 38% | 0.383 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 158.7 | 177.5 | -68.1 | 178.8 | -171.2 | 0 | 0 | 109.2 | L25 F26 R102 A106 | L25-E104 CarbonylContact C-O 3.55Å; L25-E104 WeakPolarHBondContact CA-O 3.29Å; F26-E104 PolarHBondContact N-O 3.11Å; F26-E104 PolarHBondContact O-N 3.19Å; F26-E104 VanDerWaalsContact O-N 3.11Å; R102-E104 IonicContact CZ-OE1 2.83Å; R102-E104 IonicContact NE-OE1 3.44Å; R102-E104 IonicContact NH2-OE1 3.49Å; R102-E104 PolarHBondContact NH2-OE1 3.29Å; E104-A106 PolarHBondContact O-N 2.96Å |
| 105 | F | 93.2 | Very high | 65.4 | Low | 52 Ų | 52 | 106.8 Ų | 106.8 | 23% | 0.228 | 55% | 0.552 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -65.2 | 136.1 | 171 | -83.3 | -73.7 | 0 | 0 | 0 | 110.3 | V22 L25 R76 A79 E80 | V22-F105 HydrophobicContact CB-CD1 4.25Å; V22-F105 HydrophobicContact CG1-CB 4.42Å; V22-F105 HydrophobicContact CG1-CD1 3.98Å; V22-F105 WeakPolarHBondContact O-CD1 3.31Å; V22-F105 WeakPolarHBondContact O-CE1 3.42Å; L25-F105 HydrophobicContact CD2-CD1 4.06Å; L25-F105 HydrophobicContact CD2-CE1 4.08Å; L25-F105 HydrophobicContact CD2-CG 4.44Å; L25-F105 HydrophobicContact CD2-CZ 4.49Å; R76-F105 HydrophobicContact CG-CE1 3.95Å; R76-F105 HydrophobicContact CG-CZ 3.72Å; A79-F105 HydrophobicContact CB-CE1 3.97Å; A79-F105 HydrophobicContact CB-CZ 4.41Å; E80-F105 HydrophobicContact CG-CE2 3.79Å; E80-F105 HydrophobicContact CG-CZ 3.43Å; E80-F105 VanDerWaalsContact CG-CZ 3.43Å |
| 106 | A | 91.3 | Very high | 65.1 | Low | 8 Ų | 8 | 112 Ų | 112 | 7% | 0.066 | 55% | 0.549 | C | S | . | . | trans | -63.4 | 161.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V22 T24 F26 F70 E104 S108 | V22-A106 HydrophobicContact CG1-CB 4.36Å; V22-A106 WeakPolarHBondContact CG1-O 3.12Å; T24-A106 HydrophobicContact CG2-CB 3.73Å; T24-A106 VanDerWaalsContact O-CB 3.3Å; T24-A106 WeakPolarHBondContact O-CB 3.18Å; T24-A106 PolarHBondContact O-N 3.32Å; F26-A106 HydrophobicContact CB-CB 4.46Å; F70-A106 HydrophobicContact CD1-CB 4.27Å; F70-A106 HydrophobicContact CE1-CB 4.48Å; E104-A106 PolarHBondContact O-N 2.96Å; A106-S108 WeakPolarHBondContact CB-O 3.34Å; A106-S108 PolarHBondContact O-N 3.29Å | ||
| 107 | R | 87 | Confident | 65.1 | Low | 258 Ų | 258 | 113.7 Ų | 113.7 | 97% | 0.974 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -66.6 | -22.4 | 175.5 | -68.2 | -173.9 | 175.9 | -176.9 | -2.7 | 113.1 | ||
| 108 | S | 87.2 | Confident | 64.6 | Low | 79 Ų | 79 | 110.3 Ų | 110.3 | 55% | 0.552 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -160.4 | 164.6 | 178.2 | 66 | 0 | 0 | 0 | 0 | 109.2 | A106 | A106-S108 WeakPolarHBondContact CB-O 3.34Å; A106-S108 PolarHBondContact O-N 3.29Å |
| 109 | N | 84.9 | Confident | 63.8 | Low | 13 Ų | 13 | 110 Ų | 110 | 7% | 0.07 | 55% | 0.547 | C | S | . | . | trans | -64.5 | 142.9 | 171 | -70.3 | -31 | 0 | 0 | 0 | 111.3 | E21 V22 R23 T24 K111 | E21-N109 PolarHBondContact O-ND2 2.94Å; V22-N109 VanDerWaalsContact CA-OD1 3.3Å; V22-N109 WeakPolarHBondContact CA-OD1 3.43Å; R23-N109 WeakPolarHBondContact CG-OD1 3.3Å; R23-N109 PolarHBondContact N-OD1 3.38Å; T24-N109 PolarHBondContact N-OD1 3.29Å; T24-N109 WeakPolarHBondContact OG1-CA 2.86Å; N109-K111 PolarHBondContact O-N 3.13Å | ||
| 110 | T | 73.5 | Confident | 63.1 | Low | 30 Ų | 30 | 109.3 Ų | 109.3 | 18% | 0.184 | 55% | 0.554 | C | S | . | * | trans | -69.3 | 131.4 | 174.3 | 59 | 0 | 0 | 0 | 0 | 109.9 | T24 F70 T72 V112 | T24-T110 HydrophobicContact CG2-CG2 3.67Å; T24-T110 PolarHBondContact OG1-N 2.67Å; T24-T110 VanDerWaalsContact OG1-N 3.13Å; F70-T110 HydrophobicContact CB-CG2 3.59Å; F70-T110 HydrophobicContact CD1-CG2 4.17Å; F70-T110 HydrophobicContact CG-CG2 3.99Å; T72-T110 PolarHBondContact OG1-OG1 3.17Å; T110-V112 PolarHBondContact O-N 2.63Å; T110-V112 VanDerWaalsContact OG1-CG2 3.25Å; T110-V112 WeakPolarHBondContact OG1-CG2 3.15Å | ||
| 111 | K | 64.2 | Low | 61.7 | Low | 211 Ų | 211 | 111 Ų | 111 | 92% | 0.917 | 57% | 0.568 | S | S | * | * | trans | -75.5 | 79.8 | 172.6 | -66.5 | -175.4 | -179.4 | -176 | 0 | 109 | N109 S113 | N109-K111 PolarHBondContact O-N 3.13Å; K111-S113 PolarHBondContact O-N 3.45Å | ||
| 112 | V | 55.4 | Low | 59.7 | Low | 76 Ų | 76 | 116 Ų | 116 | 46% | 0.461 | 60% | 0.595 | S | S | . | * | trans | -85.6 | 99.4 | 171.7 | -142.9 | 0 | 0 | 0 | 0 | 107.2 | T110 R114 | T110-V112 PolarHBondContact O-N 2.63Å; T110-V112 VanDerWaalsContact OG1-CG2 3.25Å; T110-V112 WeakPolarHBondContact OG1-CG2 3.15Å; V112-R114 PolarHBondContact O-N 3.2Å; V112-R114 VanDerWaalsContact O-N 3.1Å | ||
| 113 | S | 37.2 | Very low | 57.6 | Low | 104 Ų | 104 | 114.2 Ų | 114.2 | 73% | 0.727 | 60% | 0.603 | S | S | * | * | trans | -58.8 | 113.9 | 168.3 | 165.6 | 0 | 0 | 0 | 0 | 108.1 | K111 Q115 | K111-S113 PolarHBondContact O-N 3.45Å; S113-Q115 VanDerWaalsContact C-N 3.34Å; S113-Q115 PolarHBondContact O-N 3.27Å | ||
| 114 | R | 41.3 | Very low | 54.9 | Low | 234 Ų | 234 | 119.5 Ų | 119.5 | 88% | 0.883 | 64% | 0.641 | S | S | * | * | trans | -58.7 | 96.7 | 167 | -81.3 | -173.3 | -117.1 | 177.5 | -2.1 | 108.4 | V112 K116 | V112-R114 PolarHBondContact O-N 3.2Å; V112-R114 VanDerWaalsContact O-N 3.1Å; R114-K116 VanDerWaalsContact C-N 3.3Å; R114-K116 PolarHBondContact O-N 2.71Å | ||
| 115 | Q | 32.6 | Very low | 52.5 | Low | 180 Ų | 180 | 123.1 Ų | 123.1 | 84% | 0.841 | 66% | 0.661 | S | S | * | * | trans | -68.2 | 101.3 | 157.4 | -81.6 | -174.3 | -36.5 | 0 | 0 | 106.6 | S113 Q117 | S113-Q115 VanDerWaalsContact C-N 3.34Å; S113-Q115 PolarHBondContact O-N 3.27Å; Q115-Q117 PolarHBondContact O-N 3.19Å | ||
| 116 | K | 28.4 | Very low | 49.9 | Very low | 201 Ų | 201 | 126.3 Ų | 126.3 | 87% | 0.874 | 69% | 0.687 | S | S | * | * | trans | -53.9 | 99.9 | 171.7 | -168.4 | 174.9 | -176.8 | 179.9 | 0 | 107.6 | R114 A118 | R114-K116 VanDerWaalsContact C-N 3.3Å; R114-K116 PolarHBondContact O-N 2.71Å; K116-A118 VanDerWaalsContact C-N 3.35Å; K116-A118 PolarHBondContact O-N 2.92Å | ||
| 117 | Q | 33.1 | Very low | 47.2 | Very low | 188 Ų | 188 | 135.1 Ų | 135.1 | 88% | 0.879 | 73% | 0.725 | S | S | * | * | trans | -70.3 | 95.3 | 176.8 | -157.9 | 171.9 | 8.8 | 0 | 0 | 107.1 | Q115 S119 | Q115-Q117 PolarHBondContact O-N 3.19Å; Q117-S119 PolarHBondContact O-N 2.99Å | ||
| 118 | A | 31.4 | Very low | 44.8 | Very low | 87 Ų | 87 | 130.9 Ų | 130.9 | 72% | 0.719 | 72% | 0.721 | S | S | * | * | trans | -67.7 | 113.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107 | K116 P120 | K116-A118 VanDerWaalsContact C-N 3.35Å; K116-A118 PolarHBondContact O-N 2.92Å; A118-P120 VanDerWaalsContact O-CD 3.32Å; A118-P120 WeakPolarHBondContact O-CD 3.17Å | ||
| 119 | S | 28 | Very low | 42.2 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 118.6 | 172.8 | 45.9 | 0 | 0 | 0 | 0 | 110.3 | Q117 | Q117-S119 PolarHBondContact O-N 2.99Š|
| 120 | P | 41 | Very low | 40 | Very low | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 126.7 | 161.2 | 27.2 | -18.1 | 0 | 0 | 0 | 108.2 | A118 N122 | A118-P120 VanDerWaalsContact O-CD 3.32Å; A118-P120 WeakPolarHBondContact O-CD 3.17Å; P120-N122 PolarHBondContact O-N 3.17Å |
| 121 | A | 36.6 | Very low | 38.1 | Very low | 97 Ų | 97 | 145.5 Ų | 145.5 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 125.6 | 170 | 0 | 0 | 0 | 0 | 0 | 109.8 | P123 | A121-P123 WeakPolarHBondContact O-CD 3.45Š|
| 122 | N | 38.3 | Very low | 37.1 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 123.6 | 175.1 | -100 | -10.2 | 0 | 0 | 0 | 110.5 | P120 | P120-N122 PolarHBondContact O-N 3.17Š|
| 123 | P | 42.5 | Very low | 36.2 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 118.8 | 148.9 | 30.1 | -25 | 0 | 0 | 0 | 107.6 | A121 L125 | A121-P123 WeakPolarHBondContact O-CD 3.45Å; P123-L125 PolarHBondContact O-N 3.44Å |
| 124 | S | 33.9 | Very low | 36.2 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -38.6 | 118.1 | 171.5 | 47.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 125 | L | 41.5 | Very low | 36.3 | Very low | 157 Ų | 157 | 140 Ų | 140 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 140 | 159.8 | -72.2 | 176 | 0 | 0 | 0 | 108.9 | P123 | P123-L125 PolarHBondContact O-N 3.44Š|
| 126 | P | 38.5 | Very low | 36.6 | Very low | 119 Ų | 119 | 141 Ų | 141 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 137.7 | -169.8 | 30 | -33.4 | 0 | 0 | 0 | 111.3 | L128 | P126-L128 PolarHBondContact O-N 2.95Š|
| 127 | F | 35.5 | Very low | 37 | Very low | 193 Ų | 193 | 138.4 Ų | 138.4 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 122 | 175.2 | -76.8 | -98.8 | 0 | 0 | 0 | 111.6 | N129 | F127-N129 PolarHBondContact O-N 3.1Š|
| 128 | L | 35.6 | Very low | 37 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | trans | -76.3 | 97.2 | 154.1 | -83.3 | 172.2 | 0 | 0 | 0 | 107.4 | P126 V130 | P126-L128 PolarHBondContact O-N 2.95Å; L128-V130 PolarHBondContact O-N 3.23Å; L128-V130 VanDerWaalsContact O-N 3.13Å | ||
| 129 | N | 33.9 | Very low | 37.1 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 60% | 0.599 | 77% | 0.77 | S | S | * | * | trans | -71 | 98.7 | 171.2 | -125.3 | 42.5 | 0 | 0 | 0 | 108.5 | F127 Y131 | F127-N129 PolarHBondContact O-N 3.1Å; N129-Y131 PolarHBondContact O-N 2.82Å | ||
| 130 | V | 36.9 | Very low | 37.9 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 78% | 0.782 | 77% | 0.772 | S | S | * | * | trans | -82.2 | 105.8 | 161.5 | 177.7 | 0 | 0 | 0 | 0 | 106.3 | L128 P132 | L128-V130 PolarHBondContact O-N 3.23Å; L128-V130 VanDerWaalsContact O-N 3.13Å; V130-P132 WeakPolarHBondContact O-CD 3.48Å | ||
| 131 | Y | 34.4 | Very low | 37.7 | Very low | 188 Ų | 188 | 140.1 Ų | 140.1 | 74% | 0.737 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 124.4 | 172.5 | -90 | -94.7 | 0 | 0 | 0 | 109.7 | N129 | N129-Y131 PolarHBondContact O-N 2.82Š|
| 132 | P | 43.2 | Very low | 37.7 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 128.3 | 164.8 | 8 | 8.8 | 0 | 0 | 0 | 109.1 | V130 | V130-P132 WeakPolarHBondContact O-CD 3.48Š|
| 133 | N | 36.5 | Very low | 37.5 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 135.9 | 171.7 | -87.9 | -31.5 | 0 | 0 | 0 | 111 | D135 | N133-D135 VanDerWaalsContact C-N 3.3Å; N133-D135 PolarHBondContact O-N 3.27Å |
| 134 | P | 38.2 | Very low | 37.2 | Very low | 112 Ų | 112 | 143 Ų | 143 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -85.8 | 23 | -176.3 | 35 | -34.9 | 0 | 0 | 0 | 115.1 | ||
| 135 | D | 42.2 | Very low | 37.3 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -106.7 | 20 | -170.4 | -69.1 | -38.4 | 0 | 0 | 0 | 115.8 | N133 | N133-D135 VanDerWaalsContact C-N 3.3Å; N133-D135 PolarHBondContact O-N 3.27Å | ||
| 136 | F | 39 | Very low | 37 | Very low | 201 Ų | 201 | 142.4 Ų | 142.4 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | trans | -130.8 | 72.3 | 174.2 | -153.1 | -98.3 | 0 | 0 | 0 | 112.6 | ||||
| 137 | V | 37.7 | Very low | 37 | Very low | 145 Ų | 145 | 143.9 Ų | 143.9 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | -77 | 124.8 | 163.8 | -95.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 138 | G | 33.4 | Very low | 37.2 | Very low | 46 Ų | 46 | 142.7 Ų | 142.7 | 47% | 0.474 | 78% | 0.782 | S | S | . | * | trans | -174.6 | 41.9 | -180 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 139 | S | 33.1 | Very low | 37.3 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | 39.6 | 76 | 136.7 | 66 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 140 | Y | 43.7 | Very low | 37.4 | Very low | 211 Ų | 211 | 143.1 Ų | 143.1 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | -177.6 | 86.3 | 143.5 | 51.4 | -85.5 | 0 | 0 | 0 | 113.3 | ||||
| 141 | L | 37.2 | Very low | 37.4 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -169.5 | 130.9 | 143.9 | -139.4 | 62.9 | 0 | 0 | 0 | 111.6 | ||||
| 142 | P | 37.4 | Very low | 37.7 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | trans | -81.3 | 134.3 | 174 | 32.4 | -29.9 | 0 | 0 | 0 | 111.1 | ||||
| 143 | T | 32.7 | Very low | 37.7 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | trans | 23.5 | 97.6 | 143.4 | -53.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 144 | M | 36.1 | Very low | 37.8 | Very low | 185 Ų | 185 | 134.3 Ų | 134.3 | 91% | 0.911 | 73% | 0.734 | S | S | * | * | trans | -144.3 | 114.5 | 153.1 | -75.3 | -62.7 | -171.5 | 0 | 0 | 110 | ||||
| 145 | G | 36 | Very low | 37.9 | Very low | 66 Ų | 66 | 132 Ų | 132 | 68% | 0.68 | 73% | 0.725 | S | S | * | * | trans | 55.7 | 102.4 | 149 | 0 | 0 | 0 | 0 | 0 | 119.8 | D147 | G145-D147 PolarHBondContact O-N 2.86Š| ||
| 146 | H | 35.8 | Very low | 37.7 | Very low | 192 Ų | 192 | 127.4 Ų | 127.4 | 89% | 0.889 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -76.7 | 32 | 173.3 | -173.5 | -90.3 | 0 | 0 | 0 | 114.2 | ||
| 147 | D | 38.9 | Very low | 37.7 | Very low | 150 Ų | 150 | 123.4 Ų | 123.4 | 80% | 0.802 | 68% | 0.683 | S | S | * | * | trans | -114 | 14 | -170.8 | -73.6 | -54.9 | 0 | 0 | 0 | 115.9 | G145 | G145-D147 PolarHBondContact O-N 2.86Š| ||
| 148 | L | 39.1 | Very low | 38 | Very low | 168 Ų | 168 | 120.2 Ų | 120.2 | 88% | 0.88 | 67% | 0.672 | S | S | * | * | trans | -117.7 | 33.4 | -173 | -136.1 | 79 | 0 | 0 | 0 | 116.1 | ||||
| 149 | F | 37.8 | Very low | 38.4 | Very low | 181 Ų | 181 | 121.6 Ų | 121.6 | 79% | 0.794 | 68% | 0.679 | S | S | * | * | trans | -122 | 67.5 | 167.3 | -137.8 | -91.8 | 0 | 0 | 0 | 111.6 | Q151 | F149-Q151 PolarHBondContact O-N 3.1Å; F149-Q151 VanDerWaalsContact O-N 3.07Å | ||
| 150 | N | 37.1 | Very low | 38.8 | Very low | 111 Ų | 111 | 122.1 Ų | 122.1 | 59% | 0.594 | 67% | 0.669 | S | S | * | * | trans | -75.2 | 97.7 | 175.7 | -165.8 | 3 | 0 | 0 | 0 | 110.1 | T152 A153 | N150-T152 PolarHBondContact O-N 2.66Å; N150-T152 WeakPolarHBondContact OD1-CB 3.34Å; N150-T152 PolarHBondContact OD1-N 3.3Å; N150-T152 PolarHBondContact OD1-OG1 2.95Å; N150-A153 WeakPolarHBondContact O-CB 2.83Å; N150-A153 PolarHBondContact O-N 2.99Å | ||
| 151 | Q | 35.9 | Very low | 38.7 | Very low | 160 Ų | 160 | 117.1 Ų | 117.1 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -47.6 | -22.2 | 170.7 | -95.5 | 180 | 50.5 | 0 | 0 | 113.8 | F149 A153 L154 A155 | F149-Q151 PolarHBondContact O-N 3.1Å; F149-Q151 VanDerWaalsContact O-N 3.07Å; Q151-A153 PolarHBondContact O-N 3.28Å; Q151-L154 PolarHBondContact O-N 3.36Å; Q151-A155 PolarHBondContact O-N 3.3Å |
| 152 | T | 41.6 | Very low | 38.5 | Very low | 87 Ų | 87 | 112.2 Ų | 112.2 | 53% | 0.534 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -62.9 | -26.4 | 176.6 | -47 | 0 | 0 | 0 | 0 | 113.3 | N150 S156 | N150-T152 PolarHBondContact O-N 2.66Å; N150-T152 WeakPolarHBondContact OD1-CB 3.34Å; N150-T152 PolarHBondContact OD1-N 3.3Å; N150-T152 PolarHBondContact OD1-OG1 2.95Å; T152-S156 PolarHBondContact O-OG 3.3Å |
| 153 | A | 41.9 | Very low | 38.4 | Very low | 35 Ų | 35 | 112.8 Ų | 112.8 | 29% | 0.289 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.9 | -48.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | N150 Q151 A155 S156 Y157 | N150-A153 WeakPolarHBondContact O-CB 2.83Å; N150-A153 PolarHBondContact O-N 2.99Å; Q151-A153 PolarHBondContact O-N 3.28Å; A153-A155 VanDerWaalsContact C-N 3.35Å; A153-A155 PolarHBondContact O-N 3.34Å; A153-S156 WeakPolarHBondContact O-CB 3.46Å; A153-S156 PolarHBondContact O-N 3.06Å; A153-Y157 WeakPolarHBondContact CA-OH 3.2Å; A153-Y157 HydrophobicContact CB-CE1 4.21Å; A153-Y157 WeakPolarHBondContact CB-OH 3.3Å; A153-Y157 WeakPolarHBondContact O-CD1 3.44Å; A153-Y157 WeakPolarHBondContact O-CE1 3.49Å; A153-Y157 WeakPolarHBondContact O-CE2 3.28Å; A153-Y157 PolarHBondContact O-OH 2.99Å |
| 154 | L | 39.2 | Very low | 38.5 | Very low | 107 Ų | 107 | 111.4 Ų | 111.4 | 56% | 0.56 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -57.7 | -37.9 | 177.3 | -99.7 | 163.4 | 0 | 0 | 0 | 115.3 | Q151 S156 Y157 | Q151-L154 PolarHBondContact O-N 3.36Å; L154-S156 VanDerWaalsContact C-N 3.27Å; L154-S156 PolarHBondContact O-N 3.07Å; L154-Y157 HydrophobicContact CB-CE2 4.05Å; L154-Y157 HydrophobicContact CD2-CD2 3.86Å; L154-Y157 HydrophobicContact CD2-CE2 3.67Å; L154-Y157 HydrophobicContact CG-CD2 4.29Å; L154-Y157 HydrophobicContact CG-CE2 3.67Å; L154-Y157 PolarHBondContact N-OH 3.04Å; L154-Y157 WeakPolarHBondContact O-CD2 3.46Å |
| 155 | A | 40.1 | Very low | 38.3 | Very low | 65 Ų | 65 | 108.2 Ų | 108.2 | 54% | 0.537 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.2 | -24.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q151 A153 | Q151-A155 PolarHBondContact O-N 3.3Å; A153-A155 VanDerWaalsContact C-N 3.35Å; A153-A155 PolarHBondContact O-N 3.34Å |
| 156 | S | 37.3 | Very low | 38 | Very low | 42 Ų | 42 | 109.6 Ų | 109.6 | 29% | 0.294 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -78.1 | -30.4 | -177.1 | -58.3 | 0 | 0 | 0 | 0 | 112.8 | T152 A153 L154 | T152-S156 PolarHBondContact O-OG 3.3Å; A153-S156 WeakPolarHBondContact O-CB 3.46Å; A153-S156 PolarHBondContact O-N 3.06Å; L154-S156 VanDerWaalsContact C-N 3.27Å; L154-S156 PolarHBondContact O-N 3.07Å |
| 157 | Y | 40.5 | Very low | 37.9 | Very low | 117 Ų | 117 | 109.3 Ų | 109.3 | 46% | 0.459 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -83.2 | -25.6 | 177.8 | -5.9 | -70.7 | 0 | 0 | 0 | 112.3 | A153 L154 A159 E160 | A153-Y157 WeakPolarHBondContact CA-OH 3.2Å; A153-Y157 HydrophobicContact CB-CE1 4.21Å; A153-Y157 WeakPolarHBondContact CB-OH 3.3Å; A153-Y157 WeakPolarHBondContact O-CD1 3.44Å; A153-Y157 WeakPolarHBondContact O-CE1 3.49Å; A153-Y157 WeakPolarHBondContact O-CE2 3.28Å; A153-Y157 PolarHBondContact O-OH 2.99Å; L154-Y157 HydrophobicContact CB-CE2 4.05Å; L154-Y157 HydrophobicContact CD2-CD2 3.86Å; L154-Y157 HydrophobicContact CD2-CE2 3.67Å; L154-Y157 HydrophobicContact CG-CD2 4.29Å; L154-Y157 HydrophobicContact CG-CE2 3.67Å; L154-Y157 PolarHBondContact N-OH 3.04Å; L154-Y157 WeakPolarHBondContact O-CD2 3.46Å; Y157-A159 PolarHBondContact O-N 3.33Å; Y157-E160 PolarHBondContact O-N 3.25Å |
| 158 | A | 44.1 | Very low | 37.7 | Very low | 79 Ų | 79 | 106.7 Ų | 106.7 | 65% | 0.653 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.6 | -21.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 159 | A | 41.7 | Very low | 37.7 | Very low | 75 Ų | 75 | 105 Ų | 105 | 62% | 0.62 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -11.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y157 | Y157-A159 PolarHBondContact O-N 3.33Š|
| 160 | E | 41.1 | Very low | 37.6 | Very low | 125 Ų | 125 | 104.6 Ų | 104.6 | 58% | 0.584 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 2.5 | -176.4 | -76.1 | -161.1 | 129.9 | 0 | 0 | 114.7 | K35 Y157 | K35-E160 IonicContact NZ-OE1 2.73Å; K35-E160 PolarHBondContact NZ-OE1 3.38Å; Y157-E160 PolarHBondContact O-N 3.25Å |
| 161 | L | 41.5 | Very low | 37.7 | Very low | 105 Ų | 105 | 103.1 Ų | 103.1 | 55% | 0.55 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -116.1 | 60 | 177.9 | -65.2 | 170.1 | 0 | 0 | 0 | 111.5 | R317 | L161-R317 HydrophobicContact CD1-CG 3.69Š|
| 162 | G | 33.2 | Very low | 37.7 | Very low | 65 Ų | 65 | 104.4 Ų | 104.4 | 67% | 0.67 | 64% | 0.643 | S | S | * | * | trans | -177.6 | 56.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 163 | S | 35.2 | Very low | 37.6 | Very low | 117 Ų | 117 | 107.8 Ų | 107.8 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | trans | -123.6 | 74 | 169.5 | -75.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 164 | S | 33.8 | Very low | 37.3 | Very low | 107 Ų | 107 | 114.5 Ų | 114.5 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -143.6 | 118.6 | 158.7 | -39.5 | 0 | 0 | 0 | 0 | 105.7 | ||
| 165 | S | 33.6 | Very low | 37.2 | Very low | 119 Ų | 119 | 112.8 Ų | 112.8 | 83% | 0.832 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 70.6 | 94.5 | 176.6 | 67.3 | 0 | 0 | 0 | 0 | 118.1 | ||
| 166 | A | 29.4 | Very low | 37 | Very low | 94 Ų | 94 | 117.9 Ų | 117.9 | 78% | 0.777 | 71% | 0.708 | S | S | * | * | 41.9 | 97 | 129.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 167 | F | 34 | Very low | 36.9 | Very low | 186 Ų | 186 | 125 Ų | 125 | 82% | 0.816 | 74% | 0.737 | S | S | * | * | trans | -145.9 | 118.7 | 138.3 | -121.8 | -87.7 | 0 | 0 | 0 | 109 | T169 | F167-T169 PolarHBondContact O-N 3.08Å; F167-T169 VanDerWaalsContact O-N 3.17Å | ||
| 168 | S | 33 | Very low | 36.6 | Very low | 96 Ų | 96 | 124.2 Ų | 124.2 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | trans | -55.6 | 116.8 | 176.9 | -75.2 | 0 | 0 | 0 | 0 | 110.8 | Q170 | S168-Q170 PolarHBondContact O-N 3.41Š| ||
| 169 | T | 39.8 | Very low | 36 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 13.5 | 172.5 | -14.9 | 0 | 0 | 0 | 0 | 113.4 | F167 | F167-T169 PolarHBondContact O-N 3.08Å; F167-T169 VanDerWaalsContact O-N 3.17Å |
| 170 | Q | 36.5 | Very low | 35.8 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -10.1 | 176.4 | -79.2 | -160.6 | -42 | 0 | 0 | 114.6 | S168 | S168-Q170 PolarHBondContact O-N 3.41Š|
| 171 | A | 37.8 | Very low | 35.5 | Very low | 79 Ų | 79 | 135 Ų | 135 | 65% | 0.653 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -97.5 | -8.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 172 | F | 37.4 | Very low | 35.3 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -90.2 | -2.9 | -175.3 | -167.6 | -107.7 | 0 | 0 | 0 | 114.2 | ||
| 173 | L | 38.7 | Very low | 35.4 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -120.3 | 13.5 | -179 | -76.1 | 173.9 | 0 | 0 | 0 | 115 | ||
| 174 | Q | 36.6 | Very low | 35.4 | Very low | 177 Ų | 177 | 144.4 Ų | 144.4 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -107.5 | 9.1 | 174.8 | -76.3 | -173.7 | -24.3 | 0 | 0 | 114.6 | ||
| 175 | G | 36.4 | Very low | 35.5 | Very low | 71 Ų | 71 | 142.6 Ų | 142.6 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -98.1 | 5.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 176 | L | 35.9 | Very low | 35.7 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -129.4 | 49.7 | -171.3 | -77.4 | 169 | 0 | 0 | 0 | 112.7 | ||
| 177 | Q | 35.4 | Very low | 36.2 | Very low | 193 Ų | 193 | 143.6 Ų | 143.6 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -151.3 | 97.1 | 165.1 | -64.4 | -170.4 | 1.8 | 0 | 0 | 109.2 | ||||
| 178 | A | 33.4 | Very low | 36.5 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | 169.2 | 68 | 148.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 179 | F | 32.3 | Very low | 36.7 | Very low | 208 Ų | 208 | 139.9 Ų | 139.9 | 91% | 0.912 | 79% | 0.791 | S | S | * | * | trans | -92.4 | 86.3 | 154.8 | -129.5 | -89 | 0 | 0 | 0 | 105.8 | ||||
| 180 | Q | 36.6 | Very low | 36.8 | Very low | 184 Ų | 184 | 142.2 Ų | 142.2 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -135.3 | 113.1 | 162.4 | -85.3 | -120.5 | -66.6 | 0 | 0 | 108.7 | ||||
| 181 | V | 35.6 | Very low | 36.8 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | -47.1 | 137.3 | 164.5 | -171 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 182 | H | 36.5 | Very low | 37.1 | Very low | 180 Ų | 180 | 143.8 Ų | 143.8 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | trans | -178.9 | 149.9 | 132 | -95.9 | 80 | 0 | 0 | 0 | 110.6 | ||||
| 183 | P | 36.4 | Very low | 37 | Very low | 79 Ų | 79 | 144.1 Ų | 144.1 | 51% | 0.513 | 80% | 0.801 | S | S | . | * | trans | -113.1 | 169.7 | -161.2 | 17 | 7.9 | 0 | 0 | 0 | 114.7 | ||||
| 184 | Y | 35 | Very low | 36.8 | Very low | 225 Ų | 225 | 141.4 Ų | 141.4 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | 92.4 | 129.9 | 158.3 | -48.2 | -69.3 | 0 | 0 | 0 | 121.1 | ||||
| 185 | G | 35.4 | Very low | 36.9 | Very low | 69 Ų | 69 | 137.2 Ų | 137.2 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 106.6 | 98.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 186 | S | 38.3 | Very low | 36.8 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | 57.7 | 137.9 | 95.7 | -86.9 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 187 | V | 40 | Very low | 37.2 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | cis | -176 | 139.4 | 9 | 128.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 188 | T | 39.7 | Very low | 37.3 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 51.7 | 136.6 | 151.3 | 63.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 189 | G | 37.1 | Very low | 37.7 | Very low | 76 Ų | 76 | 140.4 Ų | 140.4 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | 168 | 120 | 153.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 190 | H | 41.1 | Very low | 38.1 | Very low | 182 Ų | 182 | 136 Ų | 136 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -82.4 | 167.3 | -164.6 | -65.3 | -82.4 | 0 | 0 | 0 | 116.7 | ||||
| 191 | P | 38.4 | Very low | 37.9 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -97 | 162.4 | -177.2 | 38 | -31.8 | 0 | 0 | 0 | 114.1 | ||||
| 192 | I | 42.4 | Very low | 38.1 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -132.8 | 140.8 | 170.6 | -63.6 | -170.2 | 0 | 0 | 0 | 111.7 | ||||
| 193 | F | 36.5 | Very low | 38 | Very low | 195 Ų | 195 | 131.2 Ų | 131.2 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -83.6 | 176.9 | -172.9 | -90.7 | -98.3 | 0 | 0 | 0 | 115.6 | ||||
| 194 | A | 34.2 | Very low | 38 | Very low | 99 Ų | 99 | 132 Ų | 132 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 84.1 | 147 | 150.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 195 | A | 37.9 | Very low | 38.4 | Very low | 90 Ų | 90 | 128.2 Ų | 128.2 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | cis | -169.3 | 131.9 | -4.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 196 | N | 33.9 | Very low | 38.2 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | 72.8 | 119.7 | 104.8 | -158.6 | 54.8 | 0 | 0 | 0 | 116.3 | |||||
| 197 | L | 44.4 | Very low | 38.2 | Very low | 169 Ų | 169 | 132 Ų | 132 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | -172.2 | 141.2 | 140.5 | -94.1 | 142.7 | 0 | 0 | 0 | 110.8 | ||||
| 198 | P | 37.7 | Very low | 37.9 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | trans | -107.7 | 153.7 | -166 | 38.8 | -29.3 | 0 | 0 | 0 | 114.7 | ||||
| 199 | H | 42.1 | Very low | 37.8 | Very low | 173 Ų | 173 | 135.1 Ų | 135.1 | 80% | 0.801 | 80% | 0.8 | S | S | * | * | trans | -153.3 | 108.1 | 160.7 | -176.5 | -66.7 | 0 | 0 | 0 | 113.4 | ||||
| 200 | V | 40.2 | Very low | 38.2 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 71% | 0.709 | 80% | 0.799 | S | S | * | * | trans | 25.5 | 113.7 | 138.8 | -165.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 201 | A | 33.3 | Very low | 37.8 | Very low | 83 Ų | 83 | 136.3 Ų | 136.3 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | trans | 51 | 123.6 | 134.4 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 202 | L | 40.3 | Very low | 37.7 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | 174.4 | 155.1 | 109 | -88.8 | 158.7 | 0 | 0 | 0 | 110.9 | |||||
| 203 | P | 33.3 | Very low | 37.3 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -89 | 131.9 | -151.7 | 34.6 | -33.6 | 0 | 0 | 0 | 113.3 | ||||
| 204 | A | 38.1 | Very low | 37.2 | Very low | 96 Ų | 96 | 136 Ų | 136 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | -120.2 | 130.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 205 | T | 42.8 | Very low | 37.2 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | -55.5 | 132.2 | -174.4 | 39 | 0 | 0 | 0 | 0 | 112.7 | S207 | T205-S207 PolarHBondContact O-N 3.25Š| ||
| 206 | N | 31.2 | Very low | 37.4 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -79.7 | 108.1 | -174.1 | -169.9 | 30.2 | 0 | 0 | 0 | 110.4 | ||||
| 207 | S | 38.5 | Very low | 38 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -123.2 | 102.1 | 162.3 | -67.4 | 0 | 0 | 0 | 0 | 107.1 | T205 R209 | T205-S207 PolarHBondContact O-N 3.25Å; S207-R209 PolarHBondContact O-N 3.32Å | ||
| 208 | G | 32.4 | Very low | 38.5 | Very low | 61 Ų | 61 | 140.9 Ų | 140.9 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | trans | -62.5 | 116.5 | -159.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I210 | G208-I210 PolarHBondContact O-N 2.99Š| ||
| 209 | R | 37.6 | Very low | 39.8 | Very low | 245 Ų | 245 | 138.2 Ų | 138.2 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | trans | -78.8 | 99.8 | 152.8 | -75.3 | -174.8 | 172.6 | 178.9 | -1 | 107.7 | S207 N211 | S207-R209 PolarHBondContact O-N 3.32Å; R209-N211 PolarHBondContact O-N 2.9Å | ||
| 210 | I | 45.5 | Very low | 41.9 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | trans | -75.2 | 107.6 | 171.9 | -57.2 | 177.8 | 0 | 0 | 0 | 107.5 | G208 Y212 | G208-I210 PolarHBondContact O-N 2.99Å; I210-Y212 PolarHBondContact O-N 2.84Å | ||
| 211 | N | 33.9 | Very low | 44.2 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | -66.4 | 115.8 | 173.7 | -127.4 | 12.2 | 0 | 0 | 0 | 109 | R209 N213 | R209-N211 PolarHBondContact O-N 2.9Å; N211-N213 PolarHBondContact O-N 3.41Å; N211-N213 VanDerWaalsContact O-N 3.1Å | ||
| 212 | Y | 35.2 | Very low | 47 | Very low | 202 Ų | 202 | 130.3 Ų | 130.3 | 79% | 0.792 | 73% | 0.727 | S | S | * | * | trans | -79 | 83.3 | 171.2 | -79.9 | -89 | 0 | 0 | 0 | 109.7 | I210 | I210-Y212 PolarHBondContact O-N 2.84Š| ||
| 213 | N | 34.9 | Very low | 49.6 | Very low | 138 Ų | 138 | 123 Ų | 123 | 74% | 0.738 | 69% | 0.69 | S | S | * | * | trans | -95.7 | 104.3 | 164 | -92.4 | -12.1 | 0 | 0 | 0 | 109.8 | N211 S215 | N211-N213 PolarHBondContact O-N 3.41Å; N211-N213 VanDerWaalsContact O-N 3.1Å; N213-S215 PolarHBondContact O-N 2.78Å | ||
| 214 | N | 34 | Very low | 52.5 | Low | 133 Ų | 133 | 117.1 Ų | 117.1 | 71% | 0.711 | 65% | 0.652 | S | S | * | * | trans | -86.3 | 80 | 175.4 | -172.7 | 43 | 0 | 0 | 0 | 109 | ||||
| 215 | S | 34.9 | Very low | 55.3 | Low | 93 Ų | 93 | 112.5 Ų | 112.5 | 65% | 0.65 | 61% | 0.614 | S | S | * | * | trans | -178.9 | 87.2 | 172.5 | 47.6 | 0 | 0 | 0 | 0 | 113.3 | N213 | N213-S215 PolarHBondContact O-N 2.78Š| ||
| 216 | N | 40.7 | Very low | 57.7 | Low | 157 Ų | 157 | 108 Ų | 108 | 84% | 0.84 | 58% | 0.582 | S | S | * | * | trans | 167.2 | 130.9 | 133.6 | -97.7 | -10.4 | 0 | 0 | 0 | 110.6 | Q218 | N216-Q218 PolarHBondContact O-N 3.34Š| ||
| 217 | N | 47.6 | Very low | 60.7 | Low | 178 Ų | 178 | 100.7 Ų | 100.7 | 95% | 0.952 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -68.1 | 46.7 | -176.3 | -77.1 | -15.6 | 0 | 0 | 0 | 114.9 | ||
| 218 | Q | 53.6 | Low | 63.3 | Low | 178 Ų | 178 | 96 Ų | 96 | 83% | 0.832 | 51% | 0.511 | S | S | * | . | trans | -124.5 | 91.3 | 165.9 | -75.5 | -178 | 10.2 | 0 | 0 | 107.8 | N216 T220 | N216-Q218 PolarHBondContact O-N 3.34Å; Q218-T220 PolarHBondContact O-N 3.39Å | ||
| 219 | S | 65.1 | Low | 66.1 | Low | 58 Ų | 58 | 95.7 Ų | 95.7 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 117.2 | 177 | 56.3 | 0 | 0 | 0 | 0 | 109.3 | Y297 | S219-Y297 WeakPolarHBondContact OG-CD2 3.26Š|
| 220 | T | 86.1 | Confident | 68.6 | Low | 116 Ų | 116 | 84.1 Ų | 84.1 | 71% | 0.712 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 132.4 | 173 | -53 | 0 | 0 | 0 | 0 | 109.8 | Q218 C222 | Q218-T220 PolarHBondContact O-N 3.39Å; T220-C222 PolarHBondContact O-N 3.34Å |
| 221 | P | 89.9 | Confident | 70.5 | Confident | 74 Ų | 74 | 77.4 Ų | 77.4 | 48% | 0.481 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 129.5 | 178.7 | -27.7 | 34.7 | 0 | 0 | 0 | 111.8 | I270 Y297 | P221-I270 HydrophobicContact CB-CG2 3.55Å; P221-Y297 HydrophobicContact CB-CE1 4.31Å; P221-Y297 HydrophobicContact CB-CE2 4.31Å; P221-Y297 HydrophobicContact CG-CE2 4.41Å |
| 222 | C | 91.8 | Very high | 73 | Confident | 17 Ų | 17 | 74.6 Ų | 74.6 | 12% | 0.115 | 41% | 0.413 | C | S | . | . | trans | -135.5 | 146.4 | -176.1 | -166.8 | 0 | 0 | 0 | 0 | 109.6 | T220 T224 Y297 | T220-C222 PolarHBondContact O-N 3.34Å; C222-T224 PolarHBondContact O-N 3.04Å; C222-Y297 HydrophobicContact CB-CD1 4.27Å; C222-Y297 VanDerWaalsContact O-CD1 3.27Å; C222-Y297 WeakPolarHBondContact O-CD1 3.46Å | ||
| 223 | S | 93.7 | Very high | 75.4 | Confident | 15 Ų | 15 | 70.4 Ų | 70.4 | 11% | 0.105 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -72.7 | -4.9 | 173.6 | 62.6 | 0 | 0 | 0 | 0 | 112.8 | Y267 | S223-Y267 PolarHBondContact O-N 2.92Š|
| 224 | T | 95.1 | Very high | 77.9 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129.5 | 174.9 | -54.7 | 0 | 0 | 0 | 0 | 109.9 | C222 F264 A265 A298 M302 | C222-T224 PolarHBondContact O-N 3.04Å; T224-F264 HydrophobicContact CG2-CB 4.25Å; T224-F264 HydrophobicContact CG2-CD1 4.17Å; T224-A265 CarbonylContact C-O 3.59Å; T224-A265 WeakPolarHBondContact CA-O 3.41Å; T224-A298 HydrophobicContact CG2-CB 3.73Å; T224-A298 WeakPolarHBondContact O-CB 3.37Å; T224-A298 PolarHBondContact O-N 2.68Å; T224-M302 HydrophobicContact CG2-CB 3.77Å; T224-M302 PolarHBondContact OG1-N 2.73Å |
| 225 | L | 95.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 138.1 | 176 | -57.7 | 179.9 | 0 | 0 | 0 | 110.1 | F243 F264 A265 Y267 A273 A276 M277 I295 Y297 | L225-F243 HydrophobicContact CD1-CE1 4.34Å; L225-F264 CarbonylContact O-C 3.58Å; L225-F264 VanDerWaalsContact O-CA 3.25Å; L225-F264 WeakPolarHBondContact O-CA 3.38Å; L225-A265 PolarHBondContact N-O 3.47Å; L225-A265 PolarHBondContact O-N 3.5Å; L225-Y267 HydrophobicContact CD1-CD2 4.23Å; L225-Y267 HydrophobicContact CD1-CE2 3.82Å; L225-Y267 HydrophobicContact CG-CD2 4.47Å; L225-Y267 HydrophobicContact CG-CE2 4.47Å; L225-A273 WeakPolarHBondContact CD1-O 3.46Å; L225-A273 HydrophobicContact CD2-CB 3.97Å; L225-A273 HydrophobicContact CG-CB 4.12Å; L225-A276 HydrophobicContact CD1-CB 4.2Å; L225-M277 HydrophobicContact CD1-CB 3.99Å; L225-M277 HydrophobicContact CD2-CB 3.89Å; L225-M277 HydrophobicContact CD2-CG 4.37Å; L225-M277 HydrophobicContact CD2-SD 4.24Å; L225-I295 HydrophobicContact CB-CG2 3.91Å; L225-I295 HydrophobicContact CD1-CG2 4.02Å; L225-I295 HydrophobicContact CD2-CG2 4.42Å; L225-I295 HydrophobicContact CG-CG2 4.34Å; L225-Y297 HydrophobicContact CD2-CD1 3.98Å; L225-Y297 HydrophobicContact CD2-CE1 4.31Å |
| 226 | F | 95 | Very high | 83.2 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 22% | 0.224 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 127.2 | 168.5 | 170.6 | -110.6 | 0 | 0 | 0 | 109.1 | A228 I262 F264 I295 E296 A298 | F226-A228 HydrophobicContact CD1-CB 4.45Å; F226-A228 HydrophobicContact CE1-CB 3.63Å; F226-A228 HydrophobicContact CZ-CB 3.82Å; F226-I262 HydrophobicContact CE2-CB 3.83Å; F226-I262 HydrophobicContact CE2-CD1 3.87Å; F226-I262 HydrophobicContact CE2-CG1 4.41Å; F226-I262 HydrophobicContact CE2-CG2 3.95Å; F226-I262 HydrophobicContact CZ-CB 4.41Å; F226-I262 HydrophobicContact CZ-CG2 4.03Å; F226-F264 HydrophobicContact CB-CD1 4.4Å; F226-F264 HydrophobicContact CB-CE1 4.09Å; F226-F264 HydrophobicContact CD2-CD1 4.34Å; F226-F264 AromaticContact CD2-CE1 3.67Å; F226-F264 HydrophobicContact CD2-CE1 3.67Å; F226-F264 HydrophobicContact CD2-CE2 4.22Å; F226-F264 AromaticContact CD2-CZ 3.6Å; F226-F264 HydrophobicContact CD2-CZ 3.6Å; F226-F264 HydrophobicContact CE2-CZ 4.15Å; F226-F264 HydrophobicContact CG-CE1 4.32Å; F226-I295 WeakPolarHBondContact O-CA 3.31Å; F226-E296 PolarHBondContact N-O 2.9Å; F226-E296 PolarHBondContact O-N 3.04Å; F226-A298 HydrophobicContact CB-CB 4.4Å |
| 227 | V | 94.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 120 | -178.3 | -169.6 | 0 | 0 | 0 | 0 | 108.5 | L230 F243 I262 A263 L293 I295 | V227-L230 HydrophobicContact CG1-CD2 3.97Å; V227-L230 HydrophobicContact CG1-CG 4.48Å; V227-F243 HydrophobicContact CB-CZ 4.35Å; V227-F243 HydrophobicContact CG1-CE2 4.26Å; V227-F243 HydrophobicContact CG1-CZ 4.05Å; V227-F243 HydrophobicContact CG2-CE1 3.96Å; V227-F243 HydrophobicContact CG2-CE2 3.87Å; V227-F243 HydrophobicContact CG2-CZ 3.33Å; V227-I262 WeakPolarHBondContact O-CA 3.5Å; V227-A263 HydrophobicContact CB-CB 4.14Å; V227-A263 PolarHBondContact N-O 2.86Å; V227-A263 PolarHBondContact O-N 3.25Å; V227-L293 HydrophobicContact CG1-CD1 4.47Å; V227-L293 HydrophobicContact CG1-CD2 4.06Å; V227-I295 HydrophobicContact CG1-CG1 4.45Å |
| 228 | A | 91.6 | Very high | 87.8 | Confident | 18 Ų | 18 | 53.2 Ų | 53.2 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 178.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F226 L230 R294 | F226-A228 HydrophobicContact CD1-CB 4.45Å; F226-A228 HydrophobicContact CE1-CB 3.63Å; F226-A228 HydrophobicContact CZ-CB 3.82Å; A228-L230 VanDerWaalsContact C-N 3.32Å; A228-R294 HydrophobicContact CB-CB 4.36Å; A228-R294 PolarHBondContact N-O 2.83Å; A228-R294 PolarHBondContact O-N 2.8Å |
| 229 | N | 91 | Very high | 89.7 | Confident | 54 Ų | 54 | 44.7 Ų | 44.7 | 29% | 0.289 | 26% | 0.259 | S | S | . | . | trans | 62.8 | 35.3 | -175.9 | -157 | 45.2 | 0 | 0 | 0 | 113.8 | R290 P292 R294 | N229-R290 PolarHBondContact ND2-O 3.17Å; N229-R290 VanDerWaalsContact ND2-O 3.1Å; N229-P292 PolarHBondContact ND2-O 3Å; N229-R294 HydrophobicContact CB-CG 4.05Å | ||
| 230 | L | 91.1 | Very high | 91 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | trans | -82.4 | 139.1 | 173.8 | -55.5 | 176.7 | 0 | 0 | 0 | 110 | V227 A228 V234 L239 P261 A263 L285 L293 | V227-L230 HydrophobicContact CG1-CD2 3.97Å; V227-L230 HydrophobicContact CG1-CG 4.48Å; A228-L230 VanDerWaalsContact C-N 3.32Å; L230-V234 HydrophobicContact CD2-CG1 4.39Å; L230-L239 HydrophobicContact CD1-CD1 3.85Å; L230-L239 HydrophobicContact CD2-CD1 4.36Å; L230-L239 HydrophobicContact CD2-CD2 3.87Å; L230-P261 HydrophobicContact CB-CB 4.18Å; L230-P261 HydrophobicContact CB-CG 3.87Å; L230-P261 WeakPolarHBondContact CB-O 3.48Å; L230-P261 HydrophobicContact CD1-CB 4.47Å; L230-A263 HydrophobicContact CD1-CB 3.84Å; L230-L285 HydrophobicContact CD2-CD1 4.26Å; L230-L293 HydrophobicContact CD2-CD2 3.33Å | ||
| 231 | S | 85 | Confident | 91.3 | Very high | 5 Ų | 5 | 49 Ų | 49 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | trans | -76.2 | 159.6 | 168.6 | -169.3 | 0 | 0 | 0 | 0 | 111.7 | D233 V234 P261 D289 | S231-D233 PolarHBondContact O-N 3.43Å; S231-V234 WeakPolarHBondContact O-CB 3.48Å; S231-V234 PolarHBondContact O-N 3.04Å; S231-P261 WeakPolarHBondContact O-CG 3.33Å; S231-D289 WeakPolarHBondContact CB-OD1 3.5Å; S231-D289 PolarHBondContact OG-OD1 3.05Å | ||
| 232 | A | 85.8 | Confident | 91.5 | Very high | 78 Ų | 78 | 46.7 Ų | 46.7 | 65% | 0.645 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -25.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 233 | D | 86.6 | Confident | 91.7 | Very high | 115 Ų | 115 | 45.9 Ų | 45.9 | 62% | 0.615 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -13.6 | -179.3 | -62.9 | -36.9 | 0 | 0 | 0 | 113.5 | S231 K235 | S231-D233 PolarHBondContact O-N 3.43Å; D233-K235 PolarHBondContact O-N 3.02Å |
| 234 | V | 87.6 | Confident | 91.7 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | trans | -69 | 123.3 | 179 | 176.3 | 0 | 0 | 0 | 0 | 109.9 | L230 S231 L239 L285 | L230-V234 HydrophobicContact CD2-CG1 4.39Å; S231-V234 WeakPolarHBondContact O-CB 3.48Å; S231-V234 PolarHBondContact O-N 3.04Å; V234-L239 HydrophobicContact CG1-CD1 3.9Å; V234-L239 HydrophobicContact CG1-CD2 4.15Å; V234-L239 HydrophobicContact CG1-CG 3.75Å; V234-L285 HydrophobicContact CB-CD1 4.42Å; V234-L285 HydrophobicContact CG1-CD1 3.59Å; V234-L285 HydrophobicContact CG2-CD1 3.88Å | ||
| 235 | K | 89.4 | Confident | 91.6 | Very high | 142 Ų | 142 | 51.2 Ų | 51.2 | 62% | 0.617 | 28% | 0.282 | S | S | * | . | trans | -93.8 | 153.5 | 178.6 | -64.6 | 179.9 | -176.1 | 173.4 | 0 | 111.5 | D233 T237 E238 L239 | D233-K235 PolarHBondContact O-N 3.02Å; K235-T237 PolarHBondContact O-N 3.39Å; K235-E238 PolarHBondContact O-N 2.87Å; K235-L239 PolarHBondContact O-N 3.09Å | ||
| 236 | E | 90.6 | Very high | 91.6 | Very high | 74 Ų | 74 | 53 Ų | 53 | 35% | 0.346 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.3 | -34.9 | 174.1 | -167 | -170.2 | 137.2 | 0 | 0 | 112 | L239 R240 L252 M254 | E236-L239 PolarHBondContact O-N 2.7Å; E236-R240 VanDerWaalsContact O-CB 3.3Å; E236-R240 WeakPolarHBondContact O-CB 3.11Å; E236-R240 PolarHBondContact O-N 3.47Å; E236-R240 IonicContact OE1-CZ 3.84Å; E236-R240 IonicContact OE1-NE 3.85Å; E236-R240 IonicContact OE1-NH2 3.18Å; E236-R240 PolarHBondContact OE1-NH2 3.19Å; E236-L252 HydrophobicContact CG-CD2 3.45Å; E236-L252 VanDerWaalsContact CG-CD2 3.45Å; E236-M254 HydrophobicContact CB-CE 4.38Å |
| 237 | T | 92 | Very high | 91.6 | Very high | 86 Ų | 86 | 54.3 Ų | 54.3 | 53% | 0.528 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | -179.1 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | K235 L239 R240 E241 | K235-T237 PolarHBondContact O-N 3.39Å; T237-L239 PolarHBondContact O-N 3.4Å; T237-R240 WeakPolarHBondContact O-CB 3.3Å; T237-R240 PolarHBondContact O-N 2.91Å; T237-R240 VanDerWaalsContact O-N 3.17Å; T237-E241 WeakPolarHBondContact O-CG 3.49Å; T237-E241 PolarHBondContact O-N 3.43Å |
| 238 | E | 92.1 | Very high | 91.5 | Very high | 31 Ų | 31 | 55.5 Ų | 55.5 | 15% | 0.145 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63 | -45.1 | 179.1 | -174.7 | -178 | -176.2 | 0 | 0 | 110.8 | K235 R240 E241 V242 L285 L286 S287 | K235-E238 PolarHBondContact O-N 2.87Å; E238-R240 VanDerWaalsContact C-N 3.31Å; E238-R240 PolarHBondContact O-N 2.78Å; E238-E241 PolarHBondContact O-N 3.13Å; E238-V242 WeakPolarHBondContact O-CG2 3.25Å; E238-V242 PolarHBondContact O-N 3.45Å; E238-V242 VanDerWaalsContact O-N 3.1Å; E238-L285 HydrophobicContact CG-CD2 4.13Å; E238-L285 WeakPolarHBondContact OE1-CB 3.33Å; E238-L286 PolarHBondContact OE1-N 2.95Å; E238-S287 VanDerWaalsContact CD-OG 3.27Å; E238-S287 PolarHBondContact OE1-N 3.49Å; E238-S287 PolarHBondContact OE1-OG 3.21Å; E238-S287 WeakPolarHBondContact OE2-CB 3.32Å; E238-S287 PolarHBondContact OE2-OG 3.3Å |
| 239 | L | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 174.6 | -68.7 | 169.5 | 0 | 0 | 0 | 111.5 | L230 V234 K235 E236 T237 E241 V242 F243 L252 M254 A263 L285 | L230-L239 HydrophobicContact CD1-CD1 3.85Å; L230-L239 HydrophobicContact CD2-CD1 4.36Å; L230-L239 HydrophobicContact CD2-CD2 3.87Å; V234-L239 HydrophobicContact CG1-CD1 3.9Å; V234-L239 HydrophobicContact CG1-CD2 4.15Å; V234-L239 HydrophobicContact CG1-CG 3.75Å; K235-L239 PolarHBondContact O-N 3.09Å; E236-L239 PolarHBondContact O-N 2.7Å; T237-L239 PolarHBondContact O-N 3.4Å; L239-E241 VanDerWaalsContact C-N 3.3Å; L239-E241 PolarHBondContact O-N 2.74Å; L239-V242 PolarHBondContact O-N 2.64Å; L239-F243 HydrophobicContact CB-CD2 4.42Å; L239-F243 HydrophobicContact CD2-CD2 4.44Å; L239-F243 HydrophobicContact CD2-CE2 4.02Å; L239-F243 WeakPolarHBondContact O-CB 2.93Å; L239-F243 VanDerWaalsContact O-CD2 3.26Å; L239-F243 WeakPolarHBondContact O-CD2 3.39Å; L239-F243 PolarHBondContact O-N 3.23Å; L239-L252 HydrophobicContact CB-CD1 3.61Å; L239-L252 HydrophobicContact CB-CD2 4.23Å; L239-M254 HydrophobicContact CD1-SD 4.28Å; L239-A263 HydrophobicContact CD1-CB 3.82Å; L239-L285 HydrophobicContact CD2-CD1 3.68Å; L239-L285 HydrophobicContact CG-CD1 4.47Å |
| 240 | R | 93.5 | Very high | 91.7 | Very high | 116 Ų | 116 | 58.1 Ų | 58.1 | 44% | 0.438 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64 | -36.5 | 179.4 | -175 | -179.4 | -72.8 | -121.1 | 3.7 | 111.9 | E236 T237 E238 G244 F249 | E236-R240 VanDerWaalsContact O-CB 3.3Å; E236-R240 WeakPolarHBondContact O-CB 3.11Å; E236-R240 PolarHBondContact O-N 3.47Å; E236-R240 IonicContact OE1-CZ 3.84Å; E236-R240 IonicContact OE1-NE 3.85Å; E236-R240 IonicContact OE1-NH2 3.18Å; E236-R240 PolarHBondContact OE1-NH2 3.19Å; T237-R240 WeakPolarHBondContact O-CB 3.3Å; T237-R240 PolarHBondContact O-N 2.91Å; T237-R240 VanDerWaalsContact O-N 3.17Å; E238-R240 VanDerWaalsContact C-N 3.31Å; E238-R240 PolarHBondContact O-N 2.78Å; R240-G244 WeakPolarHBondContact O-CA 3.29Å; R240-G244 PolarHBondContact O-N 2.71Å; R240-F249 HydrophobicContact CG-CE1 3.98Å; R240-F249 HydrophobicContact CG-CZ 4.07Å |
| 241 | E | 93.2 | Very high | 91.7 | Very high | 147 Ų | 147 | 60.6 Ų | 60.6 | 69% | 0.687 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.7 | -46.1 | 174.7 | -72.8 | 170.7 | -165.2 | 0 | 0 | 111.5 | T237 E238 L239 G244 S245 | T237-E241 WeakPolarHBondContact O-CG 3.49Å; T237-E241 PolarHBondContact O-N 3.43Å; E238-E241 PolarHBondContact O-N 3.13Å; L239-E241 VanDerWaalsContact C-N 3.3Å; L239-E241 PolarHBondContact O-N 2.74Å; E241-G244 PolarHBondContact O-N 3.43Å; E241-S245 PolarHBondContact O-N 3.43Å |
| 242 | V | 93.4 | Very high | 92.1 | Very high | 27 Ų | 27 | 60.8 Ų | 60.8 | 16% | 0.164 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.5 | -47.1 | -179.2 | 175.2 | 0 | 0 | 0 | 0 | 112.3 | E238 L239 G244 S245 L280 F283 L285 | E238-V242 WeakPolarHBondContact O-CG2 3.25Å; E238-V242 PolarHBondContact O-N 3.45Å; E238-V242 VanDerWaalsContact O-N 3.1Å; L239-V242 PolarHBondContact O-N 2.64Å; V242-G244 VanDerWaalsContact C-N 3.34Å; V242-S245 PolarHBondContact O-OG 2.91Å; V242-L280 HydrophobicContact CG1-CD1 3.95Å; V242-L280 HydrophobicContact CG1-CD2 3.47Å; V242-L280 VanDerWaalsContact CG1-CD2 3.47Å; V242-L280 HydrophobicContact CG1-CG 4.36Å; V242-F283 HydrophobicContact CG1-CD1 4.15Å; V242-F283 HydrophobicContact CG1-CE1 4.03Å; V242-F283 HydrophobicContact CG2-CE1 4.12Å; V242-L285 HydrophobicContact CG2-CD2 3.89Å |
| 243 | F | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -74.6 | -28.1 | 177.6 | -76.1 | -85.3 | 0 | 0 | 0 | 111.9 | L225 V227 L239 S245 F246 F249 L252 A265 Y267 L280 L293 I295 | L225-F243 HydrophobicContact CD1-CE1 4.34Å; V227-F243 HydrophobicContact CB-CZ 4.35Å; V227-F243 HydrophobicContact CG1-CE2 4.26Å; V227-F243 HydrophobicContact CG1-CZ 4.05Å; V227-F243 HydrophobicContact CG2-CE1 3.96Å; V227-F243 HydrophobicContact CG2-CE2 3.87Å; V227-F243 HydrophobicContact CG2-CZ 3.33Å; L239-F243 HydrophobicContact CB-CD2 4.42Å; L239-F243 HydrophobicContact CD2-CD2 4.44Å; L239-F243 HydrophobicContact CD2-CE2 4.02Å; L239-F243 WeakPolarHBondContact O-CB 2.93Å; L239-F243 VanDerWaalsContact O-CD2 3.26Å; L239-F243 WeakPolarHBondContact O-CD2 3.39Å; L239-F243 PolarHBondContact O-N 3.23Å; F243-S245 VanDerWaalsContact C-N 3.31Å; F243-S245 PolarHBondContact O-N 2.75Å; F243-F246 PolarHBondContact O-N 3.31Å; F243-F249 HydrophobicContact CB-CD2 3.87Å; F243-F249 HydrophobicContact CB-CE2 3.73Å; F243-L252 HydrophobicContact CB-CD1 4.43Å; F243-L252 HydrophobicContact CD2-CD1 3.97Å; F243-L252 HydrophobicContact CG-CD1 4.38Å; F243-A265 HydrophobicContact CB-CB 4.38Å; F243-A265 HydrophobicContact CD1-CB 3.72Å; F243-A265 HydrophobicContact CE1-CB 4.18Å; F243-A265 HydrophobicContact CG-CB 4Å; F243-Y267 HydrophobicContact CD1-CE2 4.3Å; F243-Y267 WeakPolarHBondContact CD1-OH 3.44Å; F243-Y267 PolarHBondContact O-OH 2.85Å; F243-L280 HydrophobicContact CD1-CD1 3.65Å; F243-L280 HydrophobicContact CD2-CD1 4.49Å; F243-L280 HydrophobicContact CE1-CD1 3.59Å; F243-L280 HydrophobicContact CE2-CD1 4.43Å; F243-L280 HydrophobicContact CG-CD1 4.11Å; F243-L280 HydrophobicContact CZ-CD1 3.98Å; F243-L293 HydrophobicContact CE2-CD1 4.45Å; F243-I295 HydrophobicContact CE1-CD1 4.03Å; F243-I295 HydrophobicContact CZ-CD1 3.83Å; F243-I295 HydrophobicContact CZ-CG1 4.49Å |
| 244 | G | 94 | Very high | 92.4 | Very high | 39 Ų | 39 | 59.1 Ų | 59.1 | 40% | 0.402 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -73.6 | -15.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R240 E241 V242 F246 | R240-G244 WeakPolarHBondContact O-CA 3.29Å; R240-G244 PolarHBondContact O-N 2.71Å; E241-G244 PolarHBondContact O-N 3.43Å; V242-G244 VanDerWaalsContact C-N 3.34Å; G244-F246 PolarHBondContact O-N 3.28Å |
| 245 | S | 94.3 | Very high | 92.4 | Very high | 88 Ų | 88 | 62.4 Ų | 62.4 | 62% | 0.615 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -12.3 | 173.1 | 69.8 | 0 | 0 | 0 | 0 | 113.3 | E241 V242 F243 | E241-S245 PolarHBondContact O-N 3.43Å; V242-S245 PolarHBondContact O-OG 2.91Å; F243-S245 VanDerWaalsContact C-N 3.31Å; F243-S245 PolarHBondContact O-N 2.75Å |
| 246 | F | 95.1 | Very high | 92.2 | Very high | 36 Ų | 36 | 60.8 Ų | 60.8 | 16% | 0.158 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -96.6 | 141.1 | 178.5 | -68 | -91.4 | 0 | 0 | 0 | 111.2 | F243 G244 Y267 A276 A279 L280 | F243-F246 PolarHBondContact O-N 3.31Å; G244-F246 PolarHBondContact O-N 3.28Å; F246-Y267 HydrophobicContact CB-CE1 3.81Å; F246-A276 HydrophobicContact CB-CB 4.04Å; F246-A276 HydrophobicContact CD1-CB 4.13Å; F246-A276 HydrophobicContact CD2-CB 4.28Å; F246-A276 HydrophobicContact CG-CB 3.87Å; F246-A279 HydrophobicContact CE1-CB 3.42Å; F246-A279 VanDerWaalsContact CE1-CB 3.42Å; F246-A279 HydrophobicContact CZ-CB 3.48Å; F246-A279 VanDerWaalsContact CZ-CB 3.48Å; F246-L280 HydrophobicContact CD2-CD1 4.04Å; F246-L280 HydrophobicContact CD2-CG 4.45Å; F246-L280 HydrophobicContact CE2-CD1 3.63Å; F246-L280 HydrophobicContact CE2-CD2 3.79Å; F246-L280 HydrophobicContact CE2-CG 3.6Å; F246-L280 HydrophobicContact CZ-CD1 4.41Å; F246-L280 HydrophobicContact CZ-CD2 4.17Å; F246-L280 HydrophobicContact CZ-CG 3.94Å |
| 247 | P | 94.3 | Very high | 91.6 | Very high | 79 Ų | 79 | 63.8 Ų | 63.8 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 147.7 | 179.6 | 26.6 | -34.7 | 0 | 0 | 0 | 111.3 | F249 Y267 E272 | P247-F249 VanDerWaalsContact C-N 3.32Å; P247-F249 PolarHBondContact O-N 2.92Å; P247-Y267 WeakPolarHBondContact O-CD1 3.34Å; P247-E272 WeakPolarHBondContact O-CB 3.43Å |
| 248 | G | 92 | Very high | 90.7 | Very high | 25 Ų | 25 | 67.8 Ų | 67.8 | 26% | 0.258 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 0.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q250 Y267 A268 E272 | G248-Q250 PolarHBondContact O-N 2.83Å; G248-Y267 CarbonylContact O-C 3.36Å; G248-Y267 WeakPolarHBondContact O-CA 3.22Å; G248-A268 PolarHBondContact O-N 3.22Å; G248-E272 WeakPolarHBondContact CA-OE1 3.03Å |
| 249 | F | 95 | Very high | 90.1 | Very high | 46 Ų | 46 | 69.7 Ų | 69.7 | 20% | 0.202 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 121.4 | 176 | 176.9 | -98.7 | 0 | 0 | 0 | 111.2 | R240 F243 P247 L252 A265 Y267 | R240-F249 HydrophobicContact CG-CE1 3.98Å; R240-F249 HydrophobicContact CG-CZ 4.07Å; F243-F249 HydrophobicContact CB-CD2 3.87Å; F243-F249 HydrophobicContact CB-CE2 3.73Å; P247-F249 VanDerWaalsContact C-N 3.32Å; P247-F249 PolarHBondContact O-N 2.92Å; F249-L252 HydrophobicContact CE2-CB 3.9Å; F249-L252 HydrophobicContact CE2-CD1 4.48Å; F249-L252 HydrophobicContact CZ-CB 3.62Å; F249-A265 HydrophobicContact CE2-CB 4.32Å; F249-Y267 HydrophobicContact CB-CD1 4.27Å; F249-Y267 HydrophobicContact CB-CE1 3.82Å; F249-Y267 HydrophobicContact CD2-CE1 4.44Å |
| 250 | Q | 92.4 | Very high | 89.6 | Confident | 82 Ų | 82 | 75.4 Ų | 75.4 | 38% | 0.383 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -47.9 | -178.4 | -65.2 | -168.7 | 67.3 | 0 | 0 | 112 | G248 E266 Y267 A268 | G248-Q250 PolarHBondContact O-N 2.83Å; Q250-E266 HydrophobicContact CB-CG 4.44Å; Q250-E266 PolarHBondContact N-O 3.12Å; Q250-Y267 VanDerWaalsContact NE2-C 3.28Å; Q250-Y267 PolarHBondContact NE2-O 3.09Å; Q250-A268 HydrophobicContact CG-CB 4.44Å; Q250-A268 VanDerWaalsContact NE2-CA 3.29Å |
| 251 | R | 90.9 | Very high | 89.3 | Confident | 53 Ų | 53 | 70.5 Ų | 70.5 | 20% | 0.2 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 155.3 | -173 | 56.6 | -177.7 | 79.7 | 135.3 | -4.9 | 111.8 | E266 M302 | R251-E266 WeakPolarHBondContact CD-OE2 3.49Å; R251-E266 HydrophobicContact CG-CB 3.64Å; R251-E266 HydrophobicContact CG-CG 4.45Å; R251-E266 WeakPolarHBondContact CG-OE2 3.12Å; R251-E266 IonicContact CZ-OE2 2.71Å; R251-E266 PolarHBondContact N-O 3.39Å; R251-E266 IonicContact NE-OE2 3.55Å; R251-E266 PolarHBondContact NE-OE2 3.47Å; R251-E266 IonicContact NH1-OE1 2.8Å; R251-E266 IonicContact NH1-OE2 3.57Å; R251-E266 PolarHBondContact NH1-OE2 2.99Å; R251-E266 PolarHBondContact O-N 3.32Å; R251-M302 HydrophobicContact CG-CE 3.96Å; R251-M302 HydrophobicContact CG-SD 4.04Å |
| 252 | L | 92.6 | Very high | 89.3 | Confident | 9 Ų | 9 | 64.6 Ų | 64.6 | 5% | 0.047 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 144.7 | 169.7 | -173.9 | 142.9 | 0 | 0 | 0 | 109.7 | E236 L239 F243 F249 A263 F264 A265 | E236-L252 HydrophobicContact CG-CD2 3.45Å; E236-L252 VanDerWaalsContact CG-CD2 3.45Å; L239-L252 HydrophobicContact CB-CD1 3.61Å; L239-L252 HydrophobicContact CB-CD2 4.23Å; F243-L252 HydrophobicContact CB-CD1 4.43Å; F243-L252 HydrophobicContact CD2-CD1 3.97Å; F243-L252 HydrophobicContact CG-CD1 4.38Å; F249-L252 HydrophobicContact CE2-CB 3.9Å; F249-L252 HydrophobicContact CE2-CD1 4.48Å; F249-L252 HydrophobicContact CZ-CB 3.62Å; L252-A263 HydrophobicContact CD2-CB 4.4Å; L252-F264 CarbonylContact C-O 3.6Å; L252-F264 VanDerWaalsContact CA-O 3.24Å; L252-F264 WeakPolarHBondContact CA-O 3.13Å; L252-A265 HydrophobicContact CD1-CB 4.35Å |
| 253 | K | 90.1 | Very high | 89.3 | Confident | 95 Ų | 95 | 63.3 Ų | 63.3 | 41% | 0.413 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 125.3 | 173.1 | 175 | 177.8 | -175.4 | 176.8 | 0 | 110.1 | L255 A263 F264 M302 | K253-L255 HydrophobicContact CG-CG 4.35Å; K253-A263 CarbonylContact O-C 3.35Å; K253-A263 WeakPolarHBondContact O-CA 3.11Å; K253-F264 PolarHBondContact N-O 2.79Å; K253-F264 PolarHBondContact O-N 3.44Å; K253-M302 HydrophobicContact CB-CE 3.15Å; K253-M302 HydrophobicContact CB-SD 4.29Å; K253-M302 HydrophobicContact CD-CE 3.96Å; K253-M302 HydrophobicContact CG-CE 4.2Å |
| 254 | M | 90.2 | Very high | 89.3 | Confident | 62 Ų | 62 | 65.5 Ų | 65.5 | 31% | 0.305 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 141.3 | 172.5 | -160.4 | 165.4 | 66.8 | 0 | 0 | 110.3 | E236 L239 P261 I262 | E236-M254 HydrophobicContact CB-CE 4.38Å; L239-M254 HydrophobicContact CD1-SD 4.28Å; M254-P261 HydrophobicContact CG-CB 4.45Å; M254-P261 HydrophobicContact SD-CB 4.4Å; M254-I262 CarbonylContact C-O 3.58Å; M254-I262 WeakPolarHBondContact CA-O 3.46Å |
| 255 | L | 87.3 | Confident | 89.3 | Confident | 73 Ų | 73 | 63.7 Ų | 63.7 | 38% | 0.382 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 150.5 | 178.3 | -74.8 | 165 | 0 | 0 | 0 | 108.6 | K253 P261 I262 F264 | K253-L255 HydrophobicContact CG-CG 4.35Å; L255-P261 CarbonylContact O-C 3.53Å; L255-P261 WeakPolarHBondContact O-CA 3.48Å; L255-I262 HydrophobicContact CB-CD1 4.27Å; L255-I262 HydrophobicContact CB-CG1 3.95Å; L255-I262 PolarHBondContact N-O 3.34Å; L255-I262 VanDerWaalsContact O-CG1 3.25Å; L255-I262 WeakPolarHBondContact O-CG1 3.24Å; L255-I262 PolarHBondContact O-N 3.35Å; L255-I262 VanDerWaalsContact O-O 3.08Å; L255-F264 HydrophobicContact CD1-CD2 3.99Å; L255-F264 HydrophobicContact CD1-CE2 3.78Å |
| 256 | C | 84.7 | Confident | 89.3 | Confident | 109 Ų | 109 | 59.5 Ų | 59.5 | 74% | 0.736 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 116.5 | 172.1 | -61.6 | 0 | 0 | 0 | 0 | 108.9 | Y260 | C256-Y260 WeakPolarHBondContact CA-O 3.33Å |
| 257 | K | 77.2 | Confident | 89.4 | Confident | 136 Ų | 136 | 57.8 Ų | 57.8 | 59% | 0.591 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125 | 176.7 | -170 | 175.6 | 179.4 | 179.8 | 0 | 108.8 | G259 Y260 I262 | K257-G259 PolarHBondContact O-N 3.12Å; K257-Y260 PolarHBondContact N-O 2.77Å; K257-Y260 PolarHBondContact O-N 2.77Å; K257-I262 HydrophobicContact CB-CD1 3.88Å; K257-I262 HydrophobicContact CB-CG1 4.38Å; K257-I262 HydrophobicContact CD-CD1 4.36Å |
| 258 | Q | 74.8 | Confident | 89.4 | Confident | 170 Ų | 170 | 56.6 Ų | 56.6 | 79% | 0.794 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 35.1 | -178.6 | -61.5 | 170.2 | 6.1 | 0 | 0 | 113.5 | Y260 | Q258-Y260 VanDerWaalsContact C-N 3.31Å; Q258-Y260 PolarHBondContact O-N 2.78Å |
| 259 | G | 78.2 | Confident | 89.4 | Confident | 71 Ų | 71 | 58.4 Ų | 58.4 | 73% | 0.732 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -0.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | K257 | K257-G259 PolarHBondContact O-N 3.12Š|
| 260 | Y | 82.5 | Confident | 89.4 | Confident | 120 Ų | 120 | 59.6 Ų | 59.6 | 47% | 0.471 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 140.5 | 177.6 | -50.1 | -55.8 | 0 | 0 | 0 | 111.3 | C256 K257 Q258 | C256-Y260 WeakPolarHBondContact CA-O 3.33Å; K257-Y260 PolarHBondContact N-O 2.77Å; K257-Y260 PolarHBondContact O-N 2.77Å; Q258-Y260 VanDerWaalsContact C-N 3.31Å; Q258-Y260 PolarHBondContact O-N 2.78Å |
| 261 | P | 88.9 | Confident | 89.6 | Confident | 13 Ų | 13 | 62 Ų | 62 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 140.6 | 173.8 | 24.2 | -24.9 | 0 | 0 | 0 | 110.5 | L230 S231 M254 L255 | L230-P261 HydrophobicContact CB-CB 4.18Å; L230-P261 HydrophobicContact CB-CG 3.87Å; L230-P261 WeakPolarHBondContact CB-O 3.48Å; L230-P261 HydrophobicContact CD1-CB 4.47Å; S231-P261 WeakPolarHBondContact O-CG 3.33Å; M254-P261 HydrophobicContact CG-CB 4.45Å; M254-P261 HydrophobicContact SD-CB 4.4Å; L255-P261 CarbonylContact O-C 3.53Å; L255-P261 WeakPolarHBondContact O-CA 3.48Å |
| 262 | I | 91.9 | Very high | 89.9 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 153.1 | 170.1 | 55 | 166.8 | 0 | 0 | 0 | 107.7 | F226 V227 M254 L255 K257 F264 | F226-I262 HydrophobicContact CE2-CB 3.83Å; F226-I262 HydrophobicContact CE2-CD1 3.87Å; F226-I262 HydrophobicContact CE2-CG1 4.41Å; F226-I262 HydrophobicContact CE2-CG2 3.95Å; F226-I262 HydrophobicContact CZ-CB 4.41Å; F226-I262 HydrophobicContact CZ-CG2 4.03Å; V227-I262 WeakPolarHBondContact O-CA 3.5Å; M254-I262 CarbonylContact C-O 3.58Å; M254-I262 WeakPolarHBondContact CA-O 3.46Å; L255-I262 HydrophobicContact CB-CD1 4.27Å; L255-I262 HydrophobicContact CB-CG1 3.95Å; L255-I262 PolarHBondContact N-O 3.34Å; L255-I262 VanDerWaalsContact O-CG1 3.25Å; L255-I262 WeakPolarHBondContact O-CG1 3.24Å; L255-I262 PolarHBondContact O-N 3.35Å; L255-I262 VanDerWaalsContact O-O 3.08Å; K257-I262 HydrophobicContact CB-CD1 3.88Å; K257-I262 HydrophobicContact CB-CG1 4.38Å; K257-I262 HydrophobicContact CD-CD1 4.36Å; I262-F264 HydrophobicContact CD1-CE2 4.01Å |
| 263 | A | 93.6 | Very high | 90 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 154.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V227 L230 L239 L252 K253 | V227-A263 HydrophobicContact CB-CB 4.14Å; V227-A263 PolarHBondContact N-O 2.86Å; V227-A263 PolarHBondContact O-N 3.25Å; L230-A263 HydrophobicContact CD1-CB 3.84Å; L239-A263 HydrophobicContact CD1-CB 3.82Å; L252-A263 HydrophobicContact CD2-CB 4.4Å; K253-A263 CarbonylContact O-C 3.35Å; K253-A263 WeakPolarHBondContact O-CA 3.11Å |
| 264 | F | 94.7 | Very high | 90.3 | Very high | 47 Ų | 47 | 58.5 Ų | 58.5 | 21% | 0.206 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 124.5 | 171.4 | -68.7 | -89 | 0 | 0 | 0 | 108.5 | T224 L225 F226 L252 K253 L255 I262 A298 M302 | T224-F264 HydrophobicContact CG2-CB 4.25Å; T224-F264 HydrophobicContact CG2-CD1 4.17Å; L225-F264 CarbonylContact O-C 3.58Å; L225-F264 VanDerWaalsContact O-CA 3.25Å; L225-F264 WeakPolarHBondContact O-CA 3.38Å; F226-F264 HydrophobicContact CB-CD1 4.4Å; F226-F264 HydrophobicContact CB-CE1 4.09Å; F226-F264 HydrophobicContact CD2-CD1 4.34Å; F226-F264 AromaticContact CD2-CE1 3.67Å; F226-F264 HydrophobicContact CD2-CE1 3.67Å; F226-F264 HydrophobicContact CD2-CE2 4.22Å; F226-F264 AromaticContact CD2-CZ 3.6Å; F226-F264 HydrophobicContact CD2-CZ 3.6Å; F226-F264 HydrophobicContact CE2-CZ 4.15Å; F226-F264 HydrophobicContact CG-CE1 4.32Å; L252-F264 CarbonylContact C-O 3.6Å; L252-F264 VanDerWaalsContact CA-O 3.24Å; L252-F264 WeakPolarHBondContact CA-O 3.13Å; K253-F264 PolarHBondContact N-O 2.79Å; K253-F264 PolarHBondContact O-N 3.44Å; L255-F264 HydrophobicContact CD1-CD2 3.99Å; L255-F264 HydrophobicContact CD1-CE2 3.78Å; I262-F264 HydrophobicContact CD1-CE2 4.01Å; F264-A298 HydrophobicContact CD1-CB 4.05Å; F264-A298 HydrophobicContact CE1-CB 4.1Å; F264-M302 HydrophobicContact CB-SD 3.93Å |
| 265 | A | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 122 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | T224 L225 F243 F249 L252 Y267 | T224-A265 CarbonylContact C-O 3.59Å; T224-A265 WeakPolarHBondContact CA-O 3.41Å; L225-A265 PolarHBondContact N-O 3.47Å; L225-A265 PolarHBondContact O-N 3.5Å; F243-A265 HydrophobicContact CB-CB 4.38Å; F243-A265 HydrophobicContact CD1-CB 3.72Å; F243-A265 HydrophobicContact CE1-CB 4.18Å; F243-A265 HydrophobicContact CG-CB 4Å; F249-A265 HydrophobicContact CE2-CB 4.32Å; L252-A265 HydrophobicContact CD1-CB 4.35Å; A265-Y267 HydrophobicContact CB-CE2 4.25Å |
| 266 | E | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 134.2 | 177.6 | -176 | -180 | -172.8 | 0 | 0 | 110.5 | Q250 R251 R301 M302 | Q250-E266 HydrophobicContact CB-CG 4.44Å; Q250-E266 PolarHBondContact N-O 3.12Å; R251-E266 WeakPolarHBondContact CD-OE2 3.49Å; R251-E266 HydrophobicContact CG-CB 3.64Å; R251-E266 HydrophobicContact CG-CG 4.45Å; R251-E266 WeakPolarHBondContact CG-OE2 3.12Å; R251-E266 IonicContact CZ-OE2 2.71Å; R251-E266 PolarHBondContact N-O 3.39Å; R251-E266 IonicContact NE-OE2 3.55Å; R251-E266 PolarHBondContact NE-OE2 3.47Å; R251-E266 IonicContact NH1-OE1 2.8Å; R251-E266 IonicContact NH1-OE2 3.57Å; R251-E266 PolarHBondContact NH1-OE2 2.99Å; R251-E266 PolarHBondContact O-N 3.32Å; E266-R301 IonicContact OE1-CZ 3.81Å; E266-R301 VanDerWaalsContact OE1-CZ 3.27Å; E266-R301 IonicContact OE1-NE 2.84Å; E266-R301 PolarHBondContact OE1-NE 2.88Å; E266-R301 IonicContact OE1-NH2 2.91Å; E266-R301 PolarHBondContact OE1-NH2 3.46Å; E266-M302 HydrophobicContact CB-CB 4.2Å; E266-M302 HydrophobicContact CB-SD 4.23Å |
| 267 | Y | 96 | Very high | 91.5 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 161 | 173 | -71.9 | -93.1 | 0 | 0 | 0 | 111.3 | S223 L225 F243 F246 P247 G248 F249 Q250 A265 E272 A273 A276 | S223-Y267 PolarHBondContact O-N 2.92Å; L225-Y267 HydrophobicContact CD1-CD2 4.23Å; L225-Y267 HydrophobicContact CD1-CE2 3.82Å; L225-Y267 HydrophobicContact CG-CD2 4.47Å; L225-Y267 HydrophobicContact CG-CE2 4.47Å; F243-Y267 HydrophobicContact CD1-CE2 4.3Å; F243-Y267 WeakPolarHBondContact CD1-OH 3.44Å; F243-Y267 PolarHBondContact O-OH 2.85Å; F246-Y267 HydrophobicContact CB-CE1 3.81Å; P247-Y267 WeakPolarHBondContact O-CD1 3.34Å; G248-Y267 CarbonylContact O-C 3.36Å; G248-Y267 WeakPolarHBondContact O-CA 3.22Å; F249-Y267 HydrophobicContact CB-CD1 4.27Å; F249-Y267 HydrophobicContact CB-CE1 3.82Å; F249-Y267 HydrophobicContact CD2-CE1 4.44Å; Q250-Y267 VanDerWaalsContact NE2-C 3.28Å; Q250-Y267 PolarHBondContact NE2-O 3.09Å; A265-Y267 HydrophobicContact CB-CE2 4.25Å; Y267-E272 HydrophobicContact CD1-CB 4.09Å; Y267-E272 HydrophobicContact CG-CB 4.44Å; Y267-A273 HydrophobicContact CD2-CB 3.97Å; Y267-A273 HydrophobicContact CG-CB 4.19Å; Y267-A276 HydrophobicContact CE1-CB 3.93Å; Y267-A276 HydrophobicContact CE2-CB 3.75Å; Y267-A276 VanDerWaalsContact OH-CB 3.3Å; Y267-A276 WeakPolarHBondContact OH-CB 3.41Å |
| 268 | A | 93.8 | Very high | 92.3 | Very high | 54 Ų | 54 | 52.2 Ų | 52.2 | 45% | 0.446 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -63.5 | -43.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G248 Q250 E272 | G248-A268 PolarHBondContact O-N 3.22Å; Q250-A268 HydrophobicContact CG-CB 4.44Å; Q250-A268 VanDerWaalsContact NE2-CA 3.29Å; A268-E272 WeakPolarHBondContact CB-OE2 3.44Å |
| 269 | T | 93.8 | Very high | 93.3 | Very high | 63 Ų | 63 | 46.7 Ų | 46.7 | 39% | 0.387 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -124.1 | 160.5 | 178.5 | 67.9 | 0 | 0 | 0 | 0 | 112.3 | N271 E272 A273 | T269-N271 VanDerWaalsContact C-N 3.27Å; T269-N271 PolarHBondContact O-N 3.29Å; T269-E272 WeakPolarHBondContact CB-OE2 3.5Å; T269-E272 PolarHBondContact N-OE2 3.26Å; T269-E272 VanDerWaalsContact OG1-CD 3.24Å; T269-E272 VanDerWaalsContact OG1-CG 3.28Å; T269-E272 WeakPolarHBondContact OG1-CG 3.37Å; T269-E272 PolarHBondContact OG1-N 3.31Å; T269-E272 PolarHBondContact OG1-OE2 2.88Å; T269-A273 PolarHBondContact O-N 3.48Å |
| 270 | I | 95 | Very high | 94 | Very high | 72 Ų | 72 | 43.7 Ų | 43.7 | 37% | 0.369 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.3 | -39.6 | 172.8 | -59.6 | 173.9 | 0 | 0 | 0 | 109.9 | P221 E272 A273 T274 | P221-I270 HydrophobicContact CB-CG2 3.55Å; I270-E272 PolarHBondContact O-N 2.75Å; I270-A273 CarbonylContact O-C 3.51Å; I270-A273 WeakPolarHBondContact O-CB 3.19Å; I270-A273 PolarHBondContact O-N 2.92Å; I270-A273 VanDerWaalsContact O-N 3.16Å; I270-T274 PolarHBondContact O-N 2.71Å; I270-T274 PolarHBondContact O-OG1 3.28Å |
| 271 | N | 96.3 | Very high | 94.4 | Very high | 131 Ų | 131 | 42.8 Ų | 42.8 | 70% | 0.701 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.6 | -41.7 | -177.6 | -66.4 | -16.1 | 0 | 0 | 0 | 112.5 | T269 T274 H275 | T269-N271 VanDerWaalsContact C-N 3.27Å; T269-N271 PolarHBondContact O-N 3.29Å; N271-T274 PolarHBondContact O-N 3.12Å; N271-H275 WeakPolarHBondContact O-CB 3.41Å; N271-H275 PolarHBondContact O-N 3.49Å |
| 272 | E | 96.3 | Very high | 94.3 | Very high | 51 Ų | 51 | 44.2 Ų | 44.2 | 24% | 0.238 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 174.1 | -70.3 | 161.3 | 141.8 | 0 | 0 | 111.5 | P247 G248 Y267 A268 T269 I270 T274 H275 A276 | P247-E272 WeakPolarHBondContact O-CB 3.43Å; G248-E272 WeakPolarHBondContact CA-OE1 3.03Å; Y267-E272 HydrophobicContact CD1-CB 4.09Å; Y267-E272 HydrophobicContact CG-CB 4.44Å; A268-E272 WeakPolarHBondContact CB-OE2 3.44Å; T269-E272 WeakPolarHBondContact CB-OE2 3.5Å; T269-E272 PolarHBondContact N-OE2 3.26Å; T269-E272 VanDerWaalsContact OG1-CD 3.24Å; T269-E272 VanDerWaalsContact OG1-CG 3.28Å; T269-E272 WeakPolarHBondContact OG1-CG 3.37Å; T269-E272 PolarHBondContact OG1-N 3.31Å; T269-E272 PolarHBondContact OG1-OE2 2.88Å; I270-E272 PolarHBondContact O-N 2.75Å; E272-T274 VanDerWaalsContact C-N 3.35Å; E272-T274 PolarHBondContact O-N 2.83Å; E272-H275 PolarHBondContact O-N 3.42Å; E272-A276 PolarHBondContact O-N 3.1Å |
| 273 | A | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L225 Y267 T269 I270 H275 A276 M277 | L225-A273 WeakPolarHBondContact CD1-O 3.46Å; L225-A273 HydrophobicContact CD2-CB 3.97Å; L225-A273 HydrophobicContact CG-CB 4.12Å; Y267-A273 HydrophobicContact CD2-CB 3.97Å; Y267-A273 HydrophobicContact CG-CB 4.19Å; T269-A273 PolarHBondContact O-N 3.48Å; I270-A273 CarbonylContact O-C 3.51Å; I270-A273 WeakPolarHBondContact O-CB 3.19Å; I270-A273 PolarHBondContact O-N 2.92Å; I270-A273 VanDerWaalsContact O-N 3.16Å; A273-H275 VanDerWaalsContact C-N 3.32Å; A273-H275 PolarHBondContact O-N 2.89Å; A273-A276 PolarHBondContact O-N 3.29Å; A273-M277 VanDerWaalsContact O-CB 3.27Å; A273-M277 WeakPolarHBondContact O-CB 3.48Å; A273-M277 PolarHBondContact O-N 2.97Å |
| 274 | T | 95.8 | Very high | 93.9 | Very high | 34 Ų | 34 | 50.8 Ų | 50.8 | 21% | 0.209 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 176.3 | -50.7 | 0 | 0 | 0 | 0 | 111.5 | I270 N271 E272 M277 N278 Y297 | I270-T274 PolarHBondContact O-N 2.71Å; I270-T274 PolarHBondContact O-OG1 3.28Å; N271-T274 PolarHBondContact O-N 3.12Å; E272-T274 VanDerWaalsContact C-N 3.35Å; E272-T274 PolarHBondContact O-N 2.83Å; T274-M277 PolarHBondContact O-N 3.15Å; T274-N278 WeakPolarHBondContact O-CB 3.3Å; T274-N278 VanDerWaalsContact O-CG 3.25Å; T274-N278 PolarHBondContact O-N 3.17Å; T274-N278 PolarHBondContact O-ND2 3.41Å; T274-Y297 WeakPolarHBondContact CB-OH 3.3Å; T274-Y297 VanDerWaalsContact CG2-OH 3.29Å; T274-Y297 WeakPolarHBondContact CG2-OH 3.28Å; T274-Y297 PolarHBondContact OG1-OH 3.25Å |
| 275 | H | 95.9 | Very high | 93.5 | Very high | 112 Ų | 112 | 48.7 Ų | 48.7 | 52% | 0.519 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.4 | -48.6 | 178.5 | -173.5 | -169.3 | 0 | 0 | 0 | 111.1 | N271 E272 A273 M277 N278 A279 | N271-H275 WeakPolarHBondContact O-CB 3.41Å; N271-H275 PolarHBondContact O-N 3.49Å; E272-H275 PolarHBondContact O-N 3.42Å; A273-H275 VanDerWaalsContact C-N 3.32Å; A273-H275 PolarHBondContact O-N 2.89Å; H275-M277 PolarHBondContact O-N 3.14Å; H275-N278 PolarHBondContact O-N 2.8Å; H275-A279 WeakPolarHBondContact O-CB 3.45Å; H275-A279 PolarHBondContact O-N 2.71Å |
| 276 | A | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L225 F246 Y267 E272 A273 A279 L280 | L225-A276 HydrophobicContact CD1-CB 4.2Å; F246-A276 HydrophobicContact CB-CB 4.04Å; F246-A276 HydrophobicContact CD1-CB 4.13Å; F246-A276 HydrophobicContact CD2-CB 4.28Å; F246-A276 HydrophobicContact CG-CB 3.87Å; Y267-A276 HydrophobicContact CE1-CB 3.93Å; Y267-A276 HydrophobicContact CE2-CB 3.75Å; Y267-A276 VanDerWaalsContact OH-CB 3.3Å; Y267-A276 WeakPolarHBondContact OH-CB 3.41Å; E272-A276 PolarHBondContact O-N 3.1Å; A273-A276 PolarHBondContact O-N 3.29Å; A276-A279 PolarHBondContact O-N 2.79Å; A276-L280 VanDerWaalsContact O-CB 3.29Å; A276-L280 WeakPolarHBondContact O-CB 3.42Å; A276-L280 WeakPolarHBondContact O-CG 3.49Å; A276-L280 PolarHBondContact O-N 3.33Å |
| 277 | M | 95.1 | Very high | 92.2 | Very high | 24 Ų | 24 | 59.1 Ų | 59.1 | 12% | 0.118 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 176.3 | -178.3 | 179.8 | 70.9 | 0 | 0 | 111.6 | L225 A273 T274 H275 A279 Q281 I295 Y297 | L225-M277 HydrophobicContact CD1-CB 3.99Å; L225-M277 HydrophobicContact CD2-CB 3.89Å; L225-M277 HydrophobicContact CD2-CG 4.37Å; L225-M277 HydrophobicContact CD2-SD 4.24Å; A273-M277 VanDerWaalsContact O-CB 3.27Å; A273-M277 WeakPolarHBondContact O-CB 3.48Å; A273-M277 PolarHBondContact O-N 2.97Å; T274-M277 PolarHBondContact O-N 3.15Å; H275-M277 PolarHBondContact O-N 3.14Å; M277-A279 VanDerWaalsContact C-N 3.34Å; M277-A279 PolarHBondContact O-N 2.89Å; M277-Q281 VanDerWaalsContact O-CB 3.29Å; M277-Q281 WeakPolarHBondContact O-CB 3.36Å; M277-Q281 PolarHBondContact O-N 3.07Å; M277-I295 HydrophobicContact CB-CG2 4.17Å; M277-I295 HydrophobicContact CG-CB 4.14Å; M277-I295 HydrophobicContact CG-CG2 3.77Å; M277-Y297 HydrophobicContact CE-CD2 4.32Å; M277-Y297 HydrophobicContact CE-CE1 4.19Å; M277-Y297 HydrophobicContact CE-CE2 3.62Å; M277-Y297 HydrophobicContact SD-CD1 4.45Å; M277-Y297 HydrophobicContact SD-CD2 4.27Å; M277-Y297 HydrophobicContact SD-CE1 4.34Å; M277-Y297 HydrophobicContact SD-CE2 4.14Å; M277-Y297 HydrophobicContact SD-CG 4.43Å |
| 278 | N | 94.4 | Very high | 91.4 | Very high | 111 Ų | 111 | 59.7 Ų | 59.7 | 59% | 0.594 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.4 | -35.9 | -178.6 | -70.5 | -19.2 | 0 | 0 | 0 | 112.5 | T274 H275 | T274-N278 WeakPolarHBondContact O-CB 3.3Å; T274-N278 VanDerWaalsContact O-CG 3.25Å; T274-N278 PolarHBondContact O-N 3.17Å; T274-N278 PolarHBondContact O-ND2 3.41Å; H275-N278 PolarHBondContact O-N 2.8Å |
| 279 | A | 94.4 | Very high | 90.8 | Very high | 55 Ų | 55 | 63.1 Ų | 63.1 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -76.6 | -34.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F246 H275 A276 M277 | F246-A279 HydrophobicContact CE1-CB 3.42Å; F246-A279 VanDerWaalsContact CE1-CB 3.42Å; F246-A279 HydrophobicContact CZ-CB 3.48Å; F246-A279 VanDerWaalsContact CZ-CB 3.48Å; H275-A279 WeakPolarHBondContact O-CB 3.45Å; H275-A279 PolarHBondContact O-N 2.71Å; A276-A279 PolarHBondContact O-N 2.79Å; M277-A279 VanDerWaalsContact C-N 3.34Å; M277-A279 PolarHBondContact O-N 2.89Å |
| 280 | L | 93.6 | Very high | 90.2 | Very high | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.037 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -97.7 | -3.9 | -177.1 | -65.5 | 174.6 | 0 | 0 | 0 | 113.6 | V242 F243 F246 A276 G282 F283 I295 | V242-L280 HydrophobicContact CG1-CD1 3.95Å; V242-L280 HydrophobicContact CG1-CD2 3.47Å; V242-L280 VanDerWaalsContact CG1-CD2 3.47Å; V242-L280 HydrophobicContact CG1-CG 4.36Å; F243-L280 HydrophobicContact CD1-CD1 3.65Å; F243-L280 HydrophobicContact CD2-CD1 4.49Å; F243-L280 HydrophobicContact CE1-CD1 3.59Å; F243-L280 HydrophobicContact CE2-CD1 4.43Å; F243-L280 HydrophobicContact CG-CD1 4.11Å; F243-L280 HydrophobicContact CZ-CD1 3.98Å; F246-L280 HydrophobicContact CD2-CD1 4.04Å; F246-L280 HydrophobicContact CD2-CG 4.45Å; F246-L280 HydrophobicContact CE2-CD1 3.63Å; F246-L280 HydrophobicContact CE2-CD2 3.79Å; F246-L280 HydrophobicContact CE2-CG 3.6Å; F246-L280 HydrophobicContact CZ-CD1 4.41Å; F246-L280 HydrophobicContact CZ-CD2 4.17Å; F246-L280 HydrophobicContact CZ-CG 3.94Å; A276-L280 VanDerWaalsContact O-CB 3.29Å; A276-L280 WeakPolarHBondContact O-CB 3.42Å; A276-L280 WeakPolarHBondContact O-CG 3.49Å; A276-L280 PolarHBondContact O-N 3.33Å; L280-G282 PolarHBondContact O-N 3.27Å; L280-F283 HydrophobicContact CB-CB 4.49Å; L280-F283 HydrophobicContact CD2-CB 4.24Å; L280-F283 HydrophobicContact CD2-CD1 4.38Å; L280-F283 HydrophobicContact CD2-CD2 4.46Å; L280-F283 HydrophobicContact CD2-CG 4.12Å; L280-F283 VanDerWaalsContact O-CB 3.22Å; L280-F283 WeakPolarHBondContact O-CB 3.49Å; L280-F283 PolarHBondContact O-N 2.7Å; L280-I295 HydrophobicContact CB-CD1 3.37Å |
| 281 | Q | 91.2 | Very high | 89.8 | Confident | 102 Ų | 102 | 62.6 Ų | 62.6 | 48% | 0.477 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 121.3 | 175.3 | -170.5 | 72.7 | -48.1 | 0 | 0 | 109.6 | M277 F283 I295 | M277-Q281 VanDerWaalsContact O-CB 3.29Å; M277-Q281 WeakPolarHBondContact O-CB 3.36Å; M277-Q281 PolarHBondContact O-N 3.07Å; Q281-F283 VanDerWaalsContact C-N 3.32Å; Q281-I295 PolarHBondContact NE2-O 3.03Å; Q281-I295 VanDerWaalsContact NE2-O 3.09Å; Q281-I295 PolarHBondContact OE1-O 3.37Å |
| 282 | G | 86.6 | Confident | 89.5 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -0.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L280 P292 L293 | L280-G282 PolarHBondContact O-N 3.27Å; G282-P292 WeakPolarHBondContact O-CB 3.39Å; G282-L293 PolarHBondContact N-O 2.87Å; G282-L293 VanDerWaalsContact N-O 3.16Å |
| 283 | F | 89.1 | Confident | 89.4 | Confident | 84 Ų | 84 | 56.9 Ų | 56.9 | 37% | 0.368 | 32% | 0.319 | S | S | . | . | trans | -66 | 138.2 | 179.8 | -171.7 | -104.3 | 0 | 0 | 0 | 111 | V242 L280 Q281 L285 P292 L293 | V242-F283 HydrophobicContact CG1-CD1 4.15Å; V242-F283 HydrophobicContact CG1-CE1 4.03Å; V242-F283 HydrophobicContact CG2-CE1 4.12Å; L280-F283 HydrophobicContact CB-CB 4.49Å; L280-F283 HydrophobicContact CD2-CB 4.24Å; L280-F283 HydrophobicContact CD2-CD1 4.38Å; L280-F283 HydrophobicContact CD2-CD2 4.46Å; L280-F283 HydrophobicContact CD2-CG 4.12Å; L280-F283 VanDerWaalsContact O-CB 3.22Å; L280-F283 WeakPolarHBondContact O-CB 3.49Å; L280-F283 PolarHBondContact O-N 2.7Å; Q281-F283 VanDerWaalsContact C-N 3.32Å; F283-L285 HydrophobicContact CD1-CD2 4.19Å; F283-L285 HydrophobicContact CE1-CD2 4Å; F283-P292 CarbonylContact O-C 3.57Å; F283-P292 WeakPolarHBondContact O-CA 3.4Å; F283-L293 HydrophobicContact CB-CD1 4.41Å; F283-L293 HydrophobicContact CD1-CD1 4.3Å; F283-L293 WeakPolarHBondContact O-CB 3.24Å; F283-L293 VanDerWaalsContact O-CG 3.31Å; F283-L293 WeakPolarHBondContact O-CG 3.3Å; F283-L293 PolarHBondContact O-N 3.22Å | ||
| 284 | V | 88 | Confident | 89.2 | Confident | 78 Ų | 78 | 64 Ų | 64 | 47% | 0.473 | 35% | 0.346 | S | S | . | . | trans | -107.2 | 118.7 | 178.8 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | P292 | V284-P292 HydrophobicContact CG2-CB 3.96Š| ||
| 285 | L | 85.9 | Confident | 89.1 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | trans | -71.7 | 146 | 173.9 | -67.6 | 173.1 | 0 | 0 | 0 | 110.3 | L230 V234 E238 L239 V242 F283 S287 S288 L293 | L230-L285 HydrophobicContact CD2-CD1 4.26Å; V234-L285 HydrophobicContact CB-CD1 4.42Å; V234-L285 HydrophobicContact CG1-CD1 3.59Å; V234-L285 HydrophobicContact CG2-CD1 3.88Å; E238-L285 HydrophobicContact CG-CD2 4.13Å; E238-L285 WeakPolarHBondContact OE1-CB 3.33Å; L239-L285 HydrophobicContact CD2-CD1 3.68Å; L239-L285 HydrophobicContact CG-CD1 4.47Å; V242-L285 HydrophobicContact CG2-CD2 3.89Å; F283-L285 HydrophobicContact CD1-CD2 4.19Å; F283-L285 HydrophobicContact CE1-CD2 4Å; L285-S287 PolarHBondContact O-N 3.28Å; L285-S288 PolarHBondContact O-N 2.76Å; L285-S288 VanDerWaalsContact O-N 3.1Å; L285-L293 HydrophobicContact CD1-CD1 4.4Å; L285-L293 HydrophobicContact CD1-CD2 3.87Å; L285-L293 HydrophobicContact CD1-CG 4.49Å; L285-L293 HydrophobicContact CD2-CD1 4.47Å; L285-L293 HydrophobicContact CG-CD1 4.21Å; L285-L293 HydrophobicContact CG-CD2 4.22Å; L285-L293 HydrophobicContact CG-CG 4.34Å | ||
| 286 | L | 82.2 | Confident | 89.1 | Confident | 167 Ų | 167 | 61.5 Ų | 61.5 | 87% | 0.874 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -33.6 | 179.6 | -84.2 | 72.3 | 0 | 0 | 0 | 111 | E238 S288 | E238-L286 PolarHBondContact OE1-N 2.95Å; L286-S288 VanDerWaalsContact C-N 3.34Å |
| 287 | S | 81.5 | Confident | 89.1 | Confident | 51 Ų | 51 | 62.9 Ų | 62.9 | 36% | 0.357 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 0.3 | 178.7 | -41.2 | 0 | 0 | 0 | 0 | 113.9 | E238 L285 | E238-S287 VanDerWaalsContact CD-OG 3.27Å; E238-S287 PolarHBondContact OE1-N 3.49Å; E238-S287 PolarHBondContact OE1-OG 3.21Å; E238-S287 WeakPolarHBondContact OE2-CB 3.32Å; E238-S287 PolarHBondContact OE2-OG 3.3Å; L285-S287 PolarHBondContact O-N 3.28Å |
| 288 | S | 79.7 | Confident | 89 | Confident | 12 Ų | 12 | 62 Ų | 62 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | trans | -102.1 | 115.6 | -175.8 | -172.3 | 0 | 0 | 0 | 0 | 112 | L285 L286 G291 | L285-S288 PolarHBondContact O-N 2.76Å; L285-S288 VanDerWaalsContact O-N 3.1Å; L286-S288 VanDerWaalsContact C-N 3.34Å; S288-G291 PolarHBondContact OG-O 2.69Å | ||
| 289 | D | 80.1 | Confident | 88.7 | Confident | 126 Ų | 126 | 67.7 Ų | 67.7 | 67% | 0.674 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -87.1 | -13.1 | 171.6 | 66.4 | -26.8 | 0 | 0 | 0 | 113.2 | S231 G291 | S231-D289 WeakPolarHBondContact CB-OD1 3.5Å; S231-D289 PolarHBondContact OG-OD1 3.05Å; D289-G291 VanDerWaalsContact C-N 3.25Å; D289-G291 PolarHBondContact O-N 3.32Å |
| 290 | R | 81.9 | Confident | 88.3 | Confident | 103 Ų | 103 | 69 Ų | 69 | 39% | 0.389 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -79.1 | -4.9 | -178 | -68.6 | -158.1 | -178.3 | -163.2 | 3.3 | 114.9 | N229 | N229-R290 PolarHBondContact ND2-O 3.17Å; N229-R290 VanDerWaalsContact ND2-O 3.1Å |
| 291 | G | 85.6 | Confident | 88 | Confident | 21 Ų | 21 | 75.5 Ų | 75.5 | 22% | 0.216 | 38% | 0.377 | C | S | . | . | trans | 95 | -156.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S288 D289 | S288-G291 PolarHBondContact OG-O 2.69Å; D289-G291 VanDerWaalsContact C-N 3.25Å; D289-G291 PolarHBondContact O-N 3.32Å | ||
| 292 | P | 90.9 | Very high | 87.5 | Confident | 61 Ų | 61 | 71.5 Ų | 71.5 | 40% | 0.396 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -74.7 | 152.3 | -165.6 | 28.7 | -35.1 | 0 | 0 | 0 | 113.6 | N229 G282 F283 V284 | N229-P292 PolarHBondContact ND2-O 3Å; G282-P292 WeakPolarHBondContact O-CB 3.39Å; F283-P292 CarbonylContact O-C 3.57Å; F283-P292 WeakPolarHBondContact O-CA 3.4Å; V284-P292 HydrophobicContact CG2-CB 3.96Å |
| 293 | L | 92.8 | Very high | 86.8 | Confident | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | trans | -62 | 136 | 173.8 | -65.4 | -175.5 | 0 | 0 | 0 | 110.8 | V227 L230 F243 G282 F283 L285 I295 | V227-L293 HydrophobicContact CG1-CD1 4.47Å; V227-L293 HydrophobicContact CG1-CD2 4.06Å; L230-L293 HydrophobicContact CD2-CD2 3.33Å; F243-L293 HydrophobicContact CE2-CD1 4.45Å; G282-L293 PolarHBondContact N-O 2.87Å; G282-L293 VanDerWaalsContact N-O 3.16Å; F283-L293 HydrophobicContact CB-CD1 4.41Å; F283-L293 HydrophobicContact CD1-CD1 4.3Å; F283-L293 WeakPolarHBondContact O-CB 3.24Å; F283-L293 VanDerWaalsContact O-CG 3.31Å; F283-L293 WeakPolarHBondContact O-CG 3.3Å; F283-L293 PolarHBondContact O-N 3.22Å; L285-L293 HydrophobicContact CD1-CD1 4.4Å; L285-L293 HydrophobicContact CD1-CD2 3.87Å; L285-L293 HydrophobicContact CD1-CG 4.49Å; L285-L293 HydrophobicContact CD2-CD1 4.47Å; L285-L293 HydrophobicContact CG-CD1 4.21Å; L285-L293 HydrophobicContact CG-CD2 4.22Å; L285-L293 HydrophobicContact CG-CG 4.34Å; L293-I295 HydrophobicContact CB-CG1 4.34Å | ||
| 294 | R | 92.1 | Very high | 85.8 | Confident | 148 Ų | 148 | 77.6 Ų | 77.6 | 56% | 0.558 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 113.8 | 171.2 | -59.6 | -178.2 | 94.8 | -127.6 | 5.3 | 108.2 | A228 N229 | A228-R294 HydrophobicContact CB-CB 4.36Å; A228-R294 PolarHBondContact N-O 2.83Å; A228-R294 PolarHBondContact O-N 2.8Å; N229-R294 HydrophobicContact CB-CG 4.05Å |
| 295 | I | 94.7 | Very high | 84.3 | Confident | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.01 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 131.1 | -175.9 | -48.5 | 176.8 | 0 | 0 | 0 | 108.8 | L225 F226 V227 F243 M277 L280 Q281 L293 | L225-I295 HydrophobicContact CB-CG2 3.91Å; L225-I295 HydrophobicContact CD1-CG2 4.02Å; L225-I295 HydrophobicContact CD2-CG2 4.42Å; L225-I295 HydrophobicContact CG-CG2 4.34Å; F226-I295 WeakPolarHBondContact O-CA 3.31Å; V227-I295 HydrophobicContact CG1-CG1 4.45Å; F243-I295 HydrophobicContact CE1-CD1 4.03Å; F243-I295 HydrophobicContact CZ-CD1 3.83Å; F243-I295 HydrophobicContact CZ-CG1 4.49Å; M277-I295 HydrophobicContact CB-CG2 4.17Å; M277-I295 HydrophobicContact CG-CB 4.14Å; M277-I295 HydrophobicContact CG-CG2 3.77Å; L280-I295 HydrophobicContact CB-CD1 3.37Å; Q281-I295 PolarHBondContact NE2-O 3.03Å; Q281-I295 VanDerWaalsContact NE2-O 3.09Å; Q281-I295 PolarHBondContact OE1-O 3.37Å; L293-I295 HydrophobicContact CB-CG1 4.34Å |
| 296 | E | 94.9 | Very high | 82.5 | Confident | 92 Ų | 92 | 80.4 Ų | 80.4 | 43% | 0.43 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 160.1 | 177.7 | -64.7 | 176 | -167.3 | 0 | 0 | 109 | F226 A298 | F226-E296 PolarHBondContact N-O 2.9Å; F226-E296 PolarHBondContact O-N 3.04Å; E296-A298 PolarHBondContact O-N 3.4Å |
| 297 | Y | 96.1 | Very high | 80.8 | Confident | 30 Ų | 30 | 75.5 Ų | 75.5 | 12% | 0.118 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 133.9 | 169.8 | -65.2 | -70.8 | 0 | 0 | 0 | 110 | S219 P221 C222 L225 T274 M277 | S219-Y297 WeakPolarHBondContact OG-CD2 3.26Å; P221-Y297 HydrophobicContact CB-CE1 4.31Å; P221-Y297 HydrophobicContact CB-CE2 4.31Å; P221-Y297 HydrophobicContact CG-CE2 4.41Å; C222-Y297 HydrophobicContact CB-CD1 4.27Å; C222-Y297 VanDerWaalsContact O-CD1 3.27Å; C222-Y297 WeakPolarHBondContact O-CD1 3.46Å; L225-Y297 HydrophobicContact CD2-CD1 3.98Å; L225-Y297 HydrophobicContact CD2-CE1 4.31Å; T274-Y297 WeakPolarHBondContact CB-OH 3.3Å; T274-Y297 VanDerWaalsContact CG2-OH 3.29Å; T274-Y297 WeakPolarHBondContact CG2-OH 3.28Å; T274-Y297 PolarHBondContact OG1-OH 3.25Å; M277-Y297 HydrophobicContact CE-CD2 4.32Å; M277-Y297 HydrophobicContact CE-CE1 4.19Å; M277-Y297 HydrophobicContact CE-CE2 3.62Å; M277-Y297 HydrophobicContact SD-CD1 4.45Å; M277-Y297 HydrophobicContact SD-CD2 4.27Å; M277-Y297 HydrophobicContact SD-CE1 4.34Å; M277-Y297 HydrophobicContact SD-CE2 4.14Å; M277-Y297 HydrophobicContact SD-CG 4.43Å |
| 298 | A | 93.4 | Very high | 79.2 | Confident | 6 Ų | 6 | 78.7 Ų | 78.7 | 5% | 0.05 | 40% | 0.401 | C | S | . | . | trans | -64.2 | 146.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | T224 F226 F264 E296 S300 | T224-A298 HydrophobicContact CG2-CB 3.73Å; T224-A298 WeakPolarHBondContact O-CB 3.37Å; T224-A298 PolarHBondContact O-N 2.68Å; F226-A298 HydrophobicContact CB-CB 4.4Å; F264-A298 HydrophobicContact CD1-CB 4.05Å; F264-A298 HydrophobicContact CE1-CB 4.1Å; E296-A298 PolarHBondContact O-N 3.4Å; A298-S300 WeakPolarHBondContact CB-O 3.03Å; A298-S300 PolarHBondContact O-N 2.9Å; A298-S300 VanDerWaalsContact O-N 3.12Å | ||
| 299 | R | 88.2 | Confident | 77.9 | Confident | 230 Ų | 230 | 84.4 Ų | 84.4 | 87% | 0.868 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -62.3 | -20.2 | 178.8 | -64.2 | -176.4 | 176.9 | -166.6 | -5.3 | 113.4 | ||
| 300 | S | 86.6 | Confident | 76.8 | Confident | 81 Ų | 81 | 79.5 Ų | 79.5 | 57% | 0.566 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -152.9 | 155.3 | 178.8 | 60.3 | 0 | 0 | 0 | 0 | 109.8 | A298 M302 | A298-S300 WeakPolarHBondContact CB-O 3.03Å; A298-S300 PolarHBondContact O-N 2.9Å; A298-S300 VanDerWaalsContact O-N 3.12Å; S300-M302 PolarHBondContact O-N 3.45Å |
| 301 | R | 85.6 | Confident | 75.5 | Confident | 144 Ų | 144 | 81 Ų | 81 | 54% | 0.543 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 140.8 | 170 | -170.3 | 174.7 | -175.9 | -169.6 | 1.5 | 109.6 | E266 | E266-R301 IonicContact OE1-CZ 3.81Å; E266-R301 VanDerWaalsContact OE1-CZ 3.27Å; E266-R301 IonicContact OE1-NE 2.84Å; E266-R301 PolarHBondContact OE1-NE 2.88Å; E266-R301 IonicContact OE1-NH2 2.91Å; E266-R301 PolarHBondContact OE1-NH2 3.46Å |
| 302 | M | 81.9 | Confident | 74.8 | Confident | 18 Ų | 18 | 83.4 Ų | 83.4 | 9% | 0.089 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 129.4 | 177.6 | -166.2 | 156 | 154.2 | 0 | 0 | 109.4 | T224 R251 K253 F264 E266 S300 E304 | T224-M302 HydrophobicContact CG2-CB 3.77Å; T224-M302 PolarHBondContact OG1-N 2.73Å; R251-M302 HydrophobicContact CG-CE 3.96Å; R251-M302 HydrophobicContact CG-SD 4.04Å; K253-M302 HydrophobicContact CB-CE 3.15Å; K253-M302 HydrophobicContact CB-SD 4.29Å; K253-M302 HydrophobicContact CD-CE 3.96Å; K253-M302 HydrophobicContact CG-CE 4.2Å; F264-M302 HydrophobicContact CB-SD 3.93Å; E266-M302 HydrophobicContact CB-CB 4.2Å; E266-M302 HydrophobicContact CB-SD 4.23Å; S300-M302 PolarHBondContact O-N 3.45Å; M302-E304 PolarHBondContact O-N 3.27Å; M302-E304 VanDerWaalsContact O-N 3.11Å |
| 303 | P | 72.4 | Confident | 73.8 | Confident | 96 Ų | 96 | 85.9 Ų | 85.9 | 62% | 0.623 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 126 | 177.4 | -22.4 | 31.2 | 0 | 0 | 0 | 108 | V305 | P303-V305 PolarHBondContact O-N 3.42Š|
| 304 | E | 66.6 | Low | 72.6 | Confident | 159 Ų | 159 | 92.8 Ų | 92.8 | 74% | 0.743 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -50.6 | 134.5 | 172.7 | -158.7 | 169.5 | -147.4 | 0 | 0 | 107.6 | M302 A306 | M302-E304 PolarHBondContact O-N 3.27Å; M302-E304 VanDerWaalsContact O-N 3.11Å; E304-A306 VanDerWaalsContact C-N 3.29Å; E304-A306 WeakPolarHBondContact O-CA 3.31Å; E304-A306 PolarHBondContact O-N 2.95Å |
| 305 | V | 56.5 | Low | 71.9 | Confident | 77 Ų | 77 | 90.2 Ų | 90.2 | 47% | 0.467 | 46% | 0.457 | S | S | . | . | trans | -52.6 | 103.7 | -173 | -175.6 | 0 | 0 | 0 | 0 | 106.4 | P303 N307 | P303-V305 PolarHBondContact O-N 3.42Å; V305-N307 HydrophobicContact CG1-CB 3.9Å; V305-N307 PolarHBondContact O-N 3.34Å | ||
| 306 | A | 49.6 | Very low | 71.2 | Confident | 62 Ų | 62 | 92.5 Ų | 92.5 | 51% | 0.512 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 14.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | E304 T308 L309 A310 | E304-A306 VanDerWaalsContact C-N 3.29Å; E304-A306 WeakPolarHBondContact O-CA 3.31Å; E304-A306 PolarHBondContact O-N 2.95Å; A306-T308 PolarHBondContact O-N 3.2Å; A306-L309 PolarHBondContact O-N 2.82Å; A306-A310 HydrophobicContact CB-CB 4.31Å; A306-A310 VanDerWaalsContact O-CA 3.28Å; A306-A310 WeakPolarHBondContact O-CA 3.28Å; A306-A310 WeakPolarHBondContact O-CB 3.33Å; A306-A310 PolarHBondContact O-N 3.46Å |
| 307 | N | 45.9 | Very low | 70.4 | Confident | 64 Ų | 64 | 94.2 Ų | 94.2 | 34% | 0.342 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -50.1 | -42.8 | 172.2 | -88.9 | 6.2 | 0 | 0 | 0 | 111.4 | V305 L309 Y311 | V305-N307 HydrophobicContact CG1-CB 3.9Å; V305-N307 PolarHBondContact O-N 3.34Å; N307-L309 VanDerWaalsContact C-N 3.31Å; N307-L309 PolarHBondContact O-N 2.95Å; N307-Y311 VanDerWaalsContact C-CD2 3.46Å; N307-Y311 HydrophobicContact CB-CD2 3.76Å; N307-Y311 HydrophobicContact CB-CE2 3.32Å; N307-Y311 PolarHBondContact ND2-OH 3.27Å; N307-Y311 WeakPolarHBondContact O-CB 3.26Å; N307-Y311 WeakPolarHBondContact O-CD2 3.19Å; N307-Y311 PolarHBondContact O-N 2.93Å |
| 308 | T | 48.2 | Very low | 69.8 | Low | 119 Ų | 119 | 98.1 Ų | 98.1 | 73% | 0.73 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.9 | -27.8 | -177.3 | -37.3 | 0 | 0 | 0 | 0 | 114.1 | A306 P312 | A306-T308 PolarHBondContact O-N 3.2Å; T308-P312 WeakPolarHBondContact O-CD 3.32Å; T308-P312 VanDerWaalsContact O-CG 3.3Å; T308-P312 WeakPolarHBondContact O-CG 3.04Å |
| 309 | L | 52.4 | Low | 69.5 | Low | 132 Ų | 132 | 102.8 Ų | 102.8 | 69% | 0.691 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -108.7 | -22.6 | 176.9 | -65.4 | 179.9 | 0 | 0 | 0 | 113.9 | A306 N307 L313 | A306-L309 PolarHBondContact O-N 2.82Å; N307-L309 VanDerWaalsContact C-N 3.31Å; N307-L309 PolarHBondContact O-N 2.95Å; L309-L313 WeakPolarHBondContact O-CB 3.46Å; L309-L313 VanDerWaalsContact O-CG 3.29Å; L309-L313 WeakPolarHBondContact O-CG 3.46Å; L309-L313 PolarHBondContact O-N 3.49Å; L309-L313 VanDerWaalsContact O-N 3.1Å |
| 310 | A | 55.8 | Low | 69.5 | Low | 23 Ų | 23 | 98.3 Ų | 98.3 | 19% | 0.19 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -80.4 | -28.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A306 R314 | A306-A310 HydrophobicContact CB-CB 4.31Å; A306-A310 VanDerWaalsContact O-CA 3.28Å; A306-A310 WeakPolarHBondContact O-CA 3.28Å; A306-A310 WeakPolarHBondContact O-CB 3.33Å; A306-A310 PolarHBondContact O-N 3.46Å; A310-R314 WeakPolarHBondContact O-CB 3.38Å; A310-R314 WeakPolarHBondContact O-CG 3.5Å; A310-R314 PolarHBondContact O-N 3.4Å |
| 311 | Y | 56.2 | Low | 69.7 | Low | 134 Ų | 134 | 97.4 Ų | 97.4 | 53% | 0.525 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -51.7 | 169.8 | -71.7 | -58.8 | 0 | 0 | 0 | 110.8 | N307 L313 R314 L315 | N307-Y311 VanDerWaalsContact C-CD2 3.46Å; N307-Y311 HydrophobicContact CB-CD2 3.76Å; N307-Y311 HydrophobicContact CB-CE2 3.32Å; N307-Y311 PolarHBondContact ND2-OH 3.27Å; N307-Y311 WeakPolarHBondContact O-CB 3.26Å; N307-Y311 WeakPolarHBondContact O-CD2 3.19Å; N307-Y311 PolarHBondContact O-N 2.93Å; Y311-L313 PolarHBondContact O-N 3.49Å; Y311-R314 PolarHBondContact O-N 3.5Å; Y311-L315 WeakPolarHBondContact O-CB 3.35Å; Y311-L315 PolarHBondContact O-N 2.8Å |
| 312 | P | 70.1 | Confident | 69.9 | Low | 71 Ų | 71 | 94.5 Ų | 94.5 | 46% | 0.461 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.4 | -44.5 | 173 | -27 | 33.8 | 0 | 0 | 0 | 113.7 | T308 L315 A316 | T308-P312 WeakPolarHBondContact O-CD 3.32Å; T308-P312 VanDerWaalsContact O-CG 3.3Å; T308-P312 WeakPolarHBondContact O-CG 3.04Å; P312-L315 PolarHBondContact O-N 3.45Å; P312-A316 VanDerWaalsContact O-CB 3.29Å; P312-A316 WeakPolarHBondContact O-CB 3.44Å; P312-A316 PolarHBondContact O-N 2.91Å |
| 313 | L | 69.4 | Low | 70.4 | Confident | 113 Ų | 113 | 98.5 Ų | 98.5 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.2 | -38.8 | 179.6 | -74.3 | 173.2 | 0 | 0 | 0 | 113.3 | L309 Y311 R317 | L309-L313 WeakPolarHBondContact O-CB 3.46Å; L309-L313 VanDerWaalsContact O-CG 3.29Å; L309-L313 WeakPolarHBondContact O-CG 3.46Å; L309-L313 PolarHBondContact O-N 3.49Å; L309-L313 VanDerWaalsContact O-N 3.1Å; Y311-L313 PolarHBondContact O-N 3.49Å; L313-R317 WeakPolarHBondContact O-CB 3.42Å; L313-R317 VanDerWaalsContact O-CG 3.28Å; L313-R317 WeakPolarHBondContact O-CG 2.82Å; L313-R317 PolarHBondContact O-N 3.46Å; L313-R317 VanDerWaalsContact O-N 3.08Å |
| 314 | R | 67.9 | Low | 71.3 | Confident | 148 Ų | 148 | 98.9 Ų | 98.9 | 56% | 0.558 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.2 | -39.8 | 173.8 | -77 | 177 | 177 | 156.3 | -1.8 | 110.9 | A310 Y311 R317 L318 | A310-R314 WeakPolarHBondContact O-CB 3.38Å; A310-R314 WeakPolarHBondContact O-CG 3.5Å; A310-R314 PolarHBondContact O-N 3.4Å; Y311-R314 PolarHBondContact O-N 3.5Å; R314-R317 WeakPolarHBondContact O-CB 3.37Å; R314-R317 PolarHBondContact O-N 2.73Å; R314-L318 WeakPolarHBondContact O-CB 3.09Å; R314-L318 VanDerWaalsContact O-CG 3.3Å; R314-L318 WeakPolarHBondContact O-CG 3.36Å; R314-L318 PolarHBondContact O-N 3.12Å |
| 315 | L | 78.1 | Confident | 72.4 | Confident | 94 Ų | 94 | 96.1 Ų | 96.1 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -49.3 | 177.8 | -173.3 | 63.9 | 0 | 0 | 0 | 110.4 | Y311 P312 R317 L318 E319 | Y311-L315 WeakPolarHBondContact O-CB 3.35Å; Y311-L315 PolarHBondContact O-N 2.8Å; P312-L315 PolarHBondContact O-N 3.45Å; L315-R317 VanDerWaalsContact C-N 3.25Å; L315-R317 PolarHBondContact O-N 2.69Å; L315-L318 CarbonylContact O-C 3.47Å; L315-L318 WeakPolarHBondContact O-CA 3.36Å; L315-L318 WeakPolarHBondContact O-CB 3.34Å; L315-L318 PolarHBondContact O-N 3.35Å; L315-E319 HydrophobicContact CD1-CG 4.48Å; L315-E319 HydrophobicContact CG-CG 4.37Å; L315-E319 WeakPolarHBondContact O-CB 3.43Å; L315-E319 WeakPolarHBondContact O-CG 3.35Å; L315-E319 PolarHBondContact O-N 2.89Å |
| 316 | A | 78.8 | Confident | 74 | Confident | 50 Ų | 50 | 98.2 Ų | 98.2 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.6 | -37 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P312 K320 | P312-A316 VanDerWaalsContact O-CB 3.29Å; P312-A316 WeakPolarHBondContact O-CB 3.44Å; P312-A316 PolarHBondContact O-N 2.91Å; A316-K320 WeakPolarHBondContact O-CB 3.48Å; A316-K320 PolarHBondContact O-N 2.85Å |
| 317 | R | 77.8 | Confident | 76 | Confident | 128 Ų | 128 | 101.1 Ų | 101.1 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 172.4 | -78.5 | 177.6 | -177.2 | -176.3 | -4.3 | 111.9 | L161 L313 R314 L315 K320 T321 | L161-R317 HydrophobicContact CD1-CG 3.69Å; L313-R317 WeakPolarHBondContact O-CB 3.42Å; L313-R317 VanDerWaalsContact O-CG 3.28Å; L313-R317 WeakPolarHBondContact O-CG 2.82Å; L313-R317 PolarHBondContact O-N 3.46Å; L313-R317 VanDerWaalsContact O-N 3.08Å; R314-R317 WeakPolarHBondContact O-CB 3.37Å; R314-R317 PolarHBondContact O-N 2.73Å; L315-R317 VanDerWaalsContact C-N 3.25Å; L315-R317 PolarHBondContact O-N 2.69Å; R317-K320 PolarHBondContact O-N 3.42Å; R317-T321 WeakPolarHBondContact O-CG2 3.32Å; R317-T321 PolarHBondContact O-N 3.08Å; R317-T321 PolarHBondContact O-OG1 2.96Å |
| 318 | L | 83.6 | Confident | 78.1 | Confident | 111 Ų | 111 | 104.6 Ų | 104.6 | 58% | 0.581 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.1 | -43.4 | 179.8 | -73.9 | 168.6 | 0 | 0 | 0 | 111.8 | R314 L315 K320 T321 N322 | R314-L318 WeakPolarHBondContact O-CB 3.09Å; R314-L318 VanDerWaalsContact O-CG 3.3Å; R314-L318 WeakPolarHBondContact O-CG 3.36Å; R314-L318 PolarHBondContact O-N 3.12Å; L315-L318 CarbonylContact O-C 3.47Å; L315-L318 WeakPolarHBondContact O-CA 3.36Å; L315-L318 WeakPolarHBondContact O-CB 3.34Å; L315-L318 PolarHBondContact O-N 3.35Å; L318-K320 VanDerWaalsContact C-N 3.35Å; L318-K320 PolarHBondContact O-N 2.95Å; L318-T321 VanDerWaalsContact CA-OG1 3.3Å; L318-T321 WeakPolarHBondContact CA-OG1 3.48Å; L318-T321 PolarHBondContact O-N 3.11Å; L318-T321 PolarHBondContact O-OG1 3.28Å; L318-N322 WeakPolarHBondContact O-CB 3.4Å; L318-N322 PolarHBondContact O-N 3.4Å |
| 319 | E | 88.4 | Confident | 80 | Confident | 105 Ų | 105 | 105.7 Ų | 105.7 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58 | -47.3 | 174.3 | -72.7 | 170 | 169.8 | 0 | 0 | 110.6 | L315 T321 N322 E323 | L315-E319 HydrophobicContact CD1-CG 4.48Å; L315-E319 HydrophobicContact CG-CG 4.37Å; L315-E319 WeakPolarHBondContact O-CB 3.43Å; L315-E319 WeakPolarHBondContact O-CG 3.35Å; L315-E319 PolarHBondContact O-N 2.89Å; E319-T321 VanDerWaalsContact C-N 3.34Å; E319-T321 PolarHBondContact O-N 2.92Å; E319-N322 WeakPolarHBondContact O-CB 3.33Å; E319-N322 PolarHBondContact O-N 3.15Å; E319-N322 VanDerWaalsContact O-N 3.09Å; E319-E323 PolarHBondContact O-N 2.94Å |
| 320 | K | 87 | Confident | 81.7 | Confident | 135 Ų | 135 | 104.8 Ų | 104.8 | 59% | 0.587 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.1 | -38 | 177.6 | -162.4 | 73.2 | -157.5 | 159.3 | 0 | 112.9 | A316 R317 L318 N322 E323 M324 | A316-K320 WeakPolarHBondContact O-CB 3.48Å; A316-K320 PolarHBondContact O-N 2.85Å; R317-K320 PolarHBondContact O-N 3.42Å; L318-K320 VanDerWaalsContact C-N 3.35Å; L318-K320 PolarHBondContact O-N 2.95Å; K320-N322 VanDerWaalsContact C-N 3.33Å; K320-E323 IonicContact NZ-OE2 3.67Å; K320-E323 PolarHBondContact NZ-OE2 3.17Å; K320-M324 WeakPolarHBondContact O-CB 3.39Å; K320-M324 PolarHBondContact O-N 3.05Å; K320-M324 VanDerWaalsContact O-N 3.12Å |
| 321 | T | 90.8 | Very high | 83.2 | Confident | 63 Ų | 63 | 107 Ų | 107 | 39% | 0.387 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -36.7 | 173.4 | 51.4 | 0 | 0 | 0 | 0 | 112 | R317 L318 E319 M324 L325 | R317-T321 WeakPolarHBondContact O-CG2 3.32Å; R317-T321 PolarHBondContact O-N 3.08Å; R317-T321 PolarHBondContact O-OG1 2.96Å; L318-T321 VanDerWaalsContact CA-OG1 3.3Å; L318-T321 WeakPolarHBondContact CA-OG1 3.48Å; L318-T321 PolarHBondContact O-N 3.11Å; L318-T321 PolarHBondContact O-OG1 3.28Å; E319-T321 VanDerWaalsContact C-N 3.34Å; E319-T321 PolarHBondContact O-N 2.92Å; T321-M324 PolarHBondContact O-N 3.18Å; T321-L325 WeakPolarHBondContact O-CG 3.37Å; T321-L325 PolarHBondContact O-N 2.93Å |
| 322 | N | 91 | Very high | 84.6 | Confident | 83 Ų | 83 | 102.2 Ų | 102.2 | 44% | 0.444 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.2 | -46.6 | 177.7 | -166.2 | 54.3 | 0 | 0 | 0 | 111.5 | L318 E319 K320 M324 L325 E326 | L318-N322 WeakPolarHBondContact O-CB 3.4Å; L318-N322 PolarHBondContact O-N 3.4Å; E319-N322 WeakPolarHBondContact O-CB 3.33Å; E319-N322 PolarHBondContact O-N 3.15Å; E319-N322 VanDerWaalsContact O-N 3.09Å; K320-N322 VanDerWaalsContact C-N 3.33Å; N322-M324 VanDerWaalsContact C-N 3.26Å; N322-M324 PolarHBondContact O-N 2.82Å; N322-L325 WeakPolarHBondContact O-CB 3.39Å; N322-L325 PolarHBondContact O-N 2.91Å; N322-L325 VanDerWaalsContact O-N 3.1Å; N322-E326 PolarHBondContact ND2-OE1 3Å; N322-E326 VanDerWaalsContact ND2-OE1 3.15Å; N322-E326 WeakPolarHBondContact O-CG 3.5Å; N322-E326 PolarHBondContact O-N 3.36Å |
| 323 | E | 92.3 | Very high | 85.3 | Confident | 102 Ų | 102 | 100.7 Ų | 100.7 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -55.6 | -41.9 | 173.5 | -72.8 | -179.6 | 175.6 | 0 | 0 | 112.2 | E319 K320 E326 H327 | E319-E323 PolarHBondContact O-N 2.94Å; K320-E323 IonicContact NZ-OE2 3.67Å; K320-E323 PolarHBondContact NZ-OE2 3.17Å; E323-E326 PolarHBondContact O-N 3.02Å; E323-H327 WeakPolarHBondContact O-CB 3.34Å; E323-H327 PolarHBondContact O-N 3Å |
| 324 | M | 91.6 | Very high | 86.1 | Confident | 103 Ų | 103 | 99 Ų | 99 | 51% | 0.507 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 178.5 | -177.1 | -107.6 | -65.8 | 0 | 0 | 111.9 | K320 T321 N322 H327 F328 | K320-M324 WeakPolarHBondContact O-CB 3.39Å; K320-M324 PolarHBondContact O-N 3.05Å; K320-M324 VanDerWaalsContact O-N 3.12Å; T321-M324 PolarHBondContact O-N 3.18Å; N322-M324 VanDerWaalsContact C-N 3.26Å; N322-M324 PolarHBondContact O-N 2.82Å; M324-H327 PolarHBondContact O-N 3.37Å; M324-F328 WeakPolarHBondContact O-CB 3.47Å; M324-F328 PolarHBondContact O-N 3.15Å |
| 325 | L | 89.3 | Confident | 86.9 | Confident | 101 Ų | 101 | 100.5 Ų | 100.5 | 53% | 0.529 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67 | -42 | 175.2 | -73.3 | 170.6 | 0 | 0 | 0 | 111.8 | T321 N322 H327 F328 F329 | T321-L325 WeakPolarHBondContact O-CG 3.37Å; T321-L325 PolarHBondContact O-N 2.93Å; N322-L325 WeakPolarHBondContact O-CB 3.39Å; N322-L325 PolarHBondContact O-N 2.91Å; N322-L325 VanDerWaalsContact O-N 3.1Å; L325-H327 VanDerWaalsContact C-N 3.34Å; L325-H327 PolarHBondContact O-N 2.82Å; L325-F328 PolarHBondContact O-N 3.17Å; L325-F329 WeakPolarHBondContact O-CB 3.28Å; L325-F329 PolarHBondContact O-N 3.17Å |
| 326 | E | 90.5 | Very high | 87.5 | Confident | 122 Ų | 122 | 100.5 Ų | 100.5 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.7 | -44.4 | 174.8 | -73.3 | 179.4 | -174.1 | 0 | 0 | 111.2 | N322 E323 F328 F329 Q330 | N322-E326 PolarHBondContact ND2-OE1 3Å; N322-E326 VanDerWaalsContact ND2-OE1 3.15Å; N322-E326 WeakPolarHBondContact O-CG 3.5Å; N322-E326 PolarHBondContact O-N 3.36Å; E323-E326 PolarHBondContact O-N 3.02Å; E326-F328 PolarHBondContact O-N 3.03Å; E326-F329 PolarHBondContact O-N 2.98Å; E326-Q330 PolarHBondContact O-N 3.35Å |
| 327 | H | 91.1 | Very high | 87.9 | Confident | 122 Ų | 122 | 101.9 Ų | 101.9 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.3 | -39.8 | 176.3 | -170.7 | -119.6 | 0 | 0 | 0 | 112.3 | E323 M324 L325 Q330 L331 | E323-H327 WeakPolarHBondContact O-CB 3.34Å; E323-H327 PolarHBondContact O-N 3Å; M324-H327 PolarHBondContact O-N 3.37Å; L325-H327 VanDerWaalsContact C-N 3.34Å; L325-H327 PolarHBondContact O-N 2.82Å; H327-Q330 PolarHBondContact O-N 3.48Å; H327-L331 WeakPolarHBondContact O-CB 3.42Å; H327-L331 WeakPolarHBondContact O-CG 3.24Å; H327-L331 PolarHBondContact O-N 3.03Å |
| 328 | F | 89.8 | Confident | 88.4 | Confident | 138 Ų | 138 | 99.3 Ų | 99.3 | 61% | 0.605 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.6 | -43 | 173.6 | 179.6 | -101.3 | 0 | 0 | 0 | 111.6 | M324 L325 E326 Q330 L331 S332 | M324-F328 WeakPolarHBondContact O-CB 3.47Å; M324-F328 PolarHBondContact O-N 3.15Å; L325-F328 PolarHBondContact O-N 3.17Å; E326-F328 PolarHBondContact O-N 3.03Å; F328-Q330 PolarHBondContact O-N 3.48Å; F328-L331 PolarHBondContact O-N 3.39Å; F328-S332 WeakPolarHBondContact O-CB 3.27Å; F328-S332 PolarHBondContact O-N 2.73Å; F328-S332 PolarHBondContact O-OG 3.22Å |
| 329 | F | 88 | Confident | 88.7 | Confident | 142 Ų | 142 | 99.3 Ų | 99.3 | 62% | 0.623 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.4 | -46.3 | 176.4 | -173.4 | -101.5 | 0 | 0 | 0 | 110.9 | L325 E326 L331 S332 S333 | L325-F329 WeakPolarHBondContact O-CB 3.28Å; L325-F329 PolarHBondContact O-N 3.17Å; E326-F329 PolarHBondContact O-N 2.98Å; F329-L331 PolarHBondContact O-N 2.68Å; F329-S332 WeakPolarHBondContact CA-OG 3.41Å; F329-S332 PolarHBondContact O-N 2.92Å; F329-S332 PolarHBondContact O-OG 2.97Å; F329-S333 WeakPolarHBondContact O-CB 3.41Å; F329-S333 PolarHBondContact O-N 3.38Å |
| 330 | Q | 89 | Confident | 88.9 | Confident | 113 Ų | 113 | 101.2 Ų | 101.2 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 176.8 | -168.6 | 62.7 | 29.1 | 0 | 0 | 112.6 | E326 H327 F328 S332 S333 T334 | E326-Q330 PolarHBondContact O-N 3.35Å; H327-Q330 PolarHBondContact O-N 3.48Å; F328-Q330 PolarHBondContact O-N 3.48Å; Q330-S332 VanDerWaalsContact C-N 3.34Å; Q330-S333 PolarHBondContact O-N 3.32Å; Q330-T334 WeakPolarHBondContact O-CG2 3.42Å; Q330-T334 PolarHBondContact O-N 2.94Å; Q330-T334 PolarHBondContact O-OG1 3.4Å |
| 331 | L | 86.5 | Confident | 89.1 | Confident | 70 Ų | 70 | 102 Ų | 102 | 37% | 0.366 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.6 | -36.2 | 175.7 | -73.3 | 173.6 | 0 | 0 | 0 | 112.4 | H327 F328 F329 T334 R335 | H327-L331 WeakPolarHBondContact O-CB 3.42Å; H327-L331 WeakPolarHBondContact O-CG 3.24Å; H327-L331 PolarHBondContact O-N 3.03Å; F328-L331 PolarHBondContact O-N 3.39Å; F329-L331 PolarHBondContact O-N 2.68Å; L331-T334 WeakPolarHBondContact CA-OG1 3.3Å; L331-T334 PolarHBondContact O-OG1 3.37Å; L331-R335 WeakPolarHBondContact O-CG 3.43Å; L331-R335 PolarHBondContact O-N 3.37Å |
| 332 | S | 86.4 | Confident | 89.2 | Confident | 32 Ų | 32 | 103.5 Ų | 103.5 | 22% | 0.224 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -68.5 | -43.9 | 176.9 | 75.5 | 0 | 0 | 0 | 0 | 111.1 | F328 F329 Q330 R335 I336 | F328-S332 WeakPolarHBondContact O-CB 3.27Å; F328-S332 PolarHBondContact O-N 2.73Å; F328-S332 PolarHBondContact O-OG 3.22Å; F329-S332 WeakPolarHBondContact CA-OG 3.41Å; F329-S332 PolarHBondContact O-N 2.92Å; F329-S332 PolarHBondContact O-OG 2.97Å; Q330-S332 VanDerWaalsContact C-N 3.34Å; S332-R335 PolarHBondContact O-N 3.23Å; S332-I336 WeakPolarHBondContact O-CB 3.45Å; S332-I336 VanDerWaalsContact O-CG1 3.26Å; S332-I336 WeakPolarHBondContact O-CG1 3.3Å; S332-I336 PolarHBondContact O-N 3.35Å |
| 333 | S | 84.3 | Confident | 89.4 | Confident | 39 Ų | 39 | 104.8 Ų | 104.8 | 27% | 0.273 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 178.2 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | F329 Q330 R335 I336 E337 | F329-S333 WeakPolarHBondContact O-CB 3.41Å; F329-S333 PolarHBondContact O-N 3.38Å; Q330-S333 PolarHBondContact O-N 3.32Å; S333-R335 PolarHBondContact O-N 2.83Å; S333-I336 PolarHBondContact O-N 3.44Å; S333-I336 VanDerWaalsContact O-N 3.17Å; S333-E337 WeakPolarHBondContact O-CB 3.36Å; S333-E337 VanDerWaalsContact O-CG 3.27Å; S333-E337 WeakPolarHBondContact O-CG 3.3Å; S333-E337 PolarHBondContact O-N 3.3Å |
| 334 | T | 85.8 | Confident | 89.5 | Confident | 78 Ų | 78 | 104.4 Ų | 104.4 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.9 | -28.4 | 178.2 | 50.5 | 0 | 0 | 0 | 0 | 114.2 | Q330 L331 P338 | Q330-T334 WeakPolarHBondContact O-CG2 3.42Å; Q330-T334 PolarHBondContact O-N 2.94Å; Q330-T334 PolarHBondContact O-OG1 3.4Å; L331-T334 WeakPolarHBondContact CA-OG1 3.3Å; L331-T334 PolarHBondContact O-OG1 3.37Å; T334-P338 VanDerWaalsContact O-CD 3.24Å; T334-P338 WeakPolarHBondContact O-CD 3.29Å |
| 335 | R | 85.8 | Confident | 89.6 | Confident | 180 Ų | 180 | 102.3 Ų | 102.3 | 68% | 0.679 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -84.2 | -34.7 | 174.9 | -69.1 | -178.1 | -164.9 | 178.5 | 5.8 | 113.5 | L331 S332 S333 | L331-R335 WeakPolarHBondContact O-CG 3.43Å; L331-R335 PolarHBondContact O-N 3.37Å; S332-R335 PolarHBondContact O-N 3.23Å; S333-R335 PolarHBondContact O-N 2.83Å |
| 336 | I | 90.2 | Very high | 89.9 | Confident | 94 Ų | 94 | 103.4 Ų | 103.4 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -81.4 | -37.5 | -175.4 | -70.1 | 167.5 | 0 | 0 | 0 | 111.4 | S332 S333 I339 R340 | S332-I336 WeakPolarHBondContact O-CB 3.45Å; S332-I336 VanDerWaalsContact O-CG1 3.26Å; S332-I336 WeakPolarHBondContact O-CG1 3.3Å; S332-I336 PolarHBondContact O-N 3.35Å; S333-I336 PolarHBondContact O-N 3.44Å; S333-I336 VanDerWaalsContact O-N 3.17Å; I336-I339 PolarHBondContact O-N 3.09Å; I336-I339 VanDerWaalsContact O-N 3.15Å; I336-R340 WeakPolarHBondContact O-CB 3.41Å; I336-R340 PolarHBondContact O-N 3.21Å |
| 337 | E | 86.4 | Confident | 90.2 | Very high | 78 Ų | 78 | 101.2 Ų | 101.2 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.2 | -41.3 | -175.3 | -74.8 | -56.1 | 128.7 | 0 | 0 | 114.5 | S333 R340 K341 | S333-E337 WeakPolarHBondContact O-CB 3.36Å; S333-E337 VanDerWaalsContact O-CG 3.27Å; S333-E337 WeakPolarHBondContact O-CG 3.3Å; S333-E337 PolarHBondContact O-N 3.3Å; E337-R340 PolarHBondContact O-N 3.23Å; E337-K341 WeakPolarHBondContact O-CG 3.43Å; E337-K341 PolarHBondContact O-N 3.3Å |
| 338 | P | 88.5 | Confident | 90.4 | Very high | 75 Ų | 75 | 102.1 Ų | 102.1 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 173.8 | -23.1 | 34.1 | 0 | 0 | 0 | 112.5 | T334 R340 K341 E342 | T334-P338 VanDerWaalsContact O-CD 3.24Å; T334-P338 WeakPolarHBondContact O-CD 3.29Å; P338-R340 VanDerWaalsContact C-N 3.31Å; P338-R340 PolarHBondContact O-N 3.33Å; P338-K341 PolarHBondContact O-N 3.34Å; P338-E342 PolarHBondContact O-N 3.32Å |
| 339 | I | 90.6 | Very high | 90.8 | Very high | 111 Ų | 111 | 100.5 Ų | 100.5 | 57% | 0.569 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.1 | -39.3 | 179.3 | -59.4 | 172.6 | 0 | 0 | 0 | 110.1 | I336 E342 L343 | I336-I339 PolarHBondContact O-N 3.09Å; I336-I339 VanDerWaalsContact O-N 3.15Å; I339-E342 PolarHBondContact O-N 2.72Å; I339-L343 VanDerWaalsContact O-CB 3.3Å; I339-L343 WeakPolarHBondContact O-CB 3.42Å; I339-L343 PolarHBondContact O-N 2.96Å |
| 340 | R | 92 | Very high | 91.2 | Very high | 144 Ų | 144 | 99.2 Ų | 99.2 | 54% | 0.543 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 176.1 | -176.5 | -178.3 | 166.9 | 84 | 2.6 | 111.4 | I336 E337 P338 L343 L344 | I336-R340 WeakPolarHBondContact O-CB 3.41Å; I336-R340 PolarHBondContact O-N 3.21Å; E337-R340 PolarHBondContact O-N 3.23Å; P338-R340 VanDerWaalsContact C-N 3.31Å; P338-R340 PolarHBondContact O-N 3.33Å; R340-L343 PolarHBondContact O-N 3.43Å; R340-L344 HydrophobicContact CG-CD1 4.49Å; R340-L344 VanDerWaalsContact O-CG 3.29Å; R340-L344 WeakPolarHBondContact O-CG 3.42Å; R340-L344 PolarHBondContact O-N 2.91Å |
| 341 | K | 92.3 | Very high | 91.6 | Very high | 151 Ų | 151 | 98 Ų | 98 | 66% | 0.657 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.3 | -42.1 | 176.2 | -73.2 | 177.5 | -177.9 | 179.2 | 0 | 112.1 | E337 P338 L344 S345 | E337-K341 WeakPolarHBondContact O-CG 3.43Å; E337-K341 PolarHBondContact O-N 3.3Å; P338-K341 PolarHBondContact O-N 3.34Å; K341-L344 PolarHBondContact O-N 2.81Å; K341-S345 PolarHBondContact O-N 2.94Å; K341-S345 VanDerWaalsContact O-N 3.1Å |
| 342 | E | 92.8 | Very high | 92.1 | Very high | 95 Ų | 95 | 98.2 Ų | 98.2 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 176.5 | -156.6 | -168.6 | 161.8 | 0 | 0 | 111.5 | P338 I339 L344 S345 Y346 | P338-E342 PolarHBondContact O-N 3.32Å; I339-E342 PolarHBondContact O-N 2.72Å; E342-L344 VanDerWaalsContact C-N 3.31Å; E342-L344 PolarHBondContact O-N 3.31Å; E342-S345 PolarHBondContact O-N 3.2Å; E342-S345 PolarHBondContact O-OG 3.35Å; E342-Y346 HydrophobicContact CB-CE2 4.49Å; E342-Y346 HydrophobicContact CG-CD2 4.22Å; E342-Y346 HydrophobicContact CG-CE2 3.53Å; E342-Y346 WeakPolarHBondContact O-CD2 3.46Å; E342-Y346 PolarHBondContact O-N 3.02Å; E342-Y346 VanDerWaalsContact OE1-CE2 3.26Å; E342-Y346 WeakPolarHBondContact OE1-CE2 3.49Å; E342-Y346 PolarHBondContact OE1-OH 3.26Å |
| 343 | L | 94.7 | Very high | 92.6 | Very high | 110 Ų | 110 | 101.5 Ų | 101.5 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.7 | -41.6 | 175.3 | -174.7 | 66.7 | 0 | 0 | 0 | 111.6 | I339 R340 S345 Y346 V347 | I339-L343 VanDerWaalsContact O-CB 3.3Å; I339-L343 WeakPolarHBondContact O-CB 3.42Å; I339-L343 PolarHBondContact O-N 2.96Å; R340-L343 PolarHBondContact O-N 3.43Å; L343-S345 VanDerWaalsContact C-N 3.34Å; L343-S345 PolarHBondContact O-N 3.48Å; L343-Y346 PolarHBondContact O-N 3.43Å; L343-V347 VanDerWaalsContact O-CG2 3.3Å; L343-V347 WeakPolarHBondContact O-CG2 3.26Å; L343-V347 PolarHBondContact O-N 3.06Å |
| 344 | L | 94.2 | Very high | 93.3 | Very high | 94 Ų | 94 | 105.6 Ų | 105.6 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 176.9 | -73.8 | 170.8 | 0 | 0 | 0 | 112.4 | R340 K341 E342 V347 Q348 | R340-L344 HydrophobicContact CG-CD1 4.49Å; R340-L344 VanDerWaalsContact O-CG 3.29Å; R340-L344 WeakPolarHBondContact O-CG 3.42Å; R340-L344 PolarHBondContact O-N 2.91Å; K341-L344 PolarHBondContact O-N 2.81Å; E342-L344 VanDerWaalsContact C-N 3.31Å; E342-L344 PolarHBondContact O-N 3.31Å; L344-V347 PolarHBondContact O-N 2.94Å; L344-Q348 WeakPolarHBondContact O-CG 3.42Å; L344-Q348 PolarHBondContact O-N 3.46Å |
| 345 | S | 94 | Very high | 93.8 | Very high | 60 Ų | 60 | 109.1 Ų | 109.1 | 42% | 0.42 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 176.3 | 71.7 | 0 | 0 | 0 | 0 | 111.8 | K341 E342 L343 Q348 L349 | K341-S345 PolarHBondContact O-N 2.94Å; K341-S345 VanDerWaalsContact O-N 3.1Å; E342-S345 PolarHBondContact O-N 3.2Å; E342-S345 PolarHBondContact O-OG 3.35Å; L343-S345 VanDerWaalsContact C-N 3.34Å; L343-S345 PolarHBondContact O-N 3.48Å; S345-Q348 PolarHBondContact O-N 3.1Å; S345-L349 WeakPolarHBondContact O-CB 3.12Å; S345-L349 PolarHBondContact O-N 3.38Å |
| 346 | Y | 95.9 | Very high | 94.4 | Very high | 123 Ų | 123 | 103.8 Ų | 103.8 | 48% | 0.482 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 173.6 | -69.1 | -54.1 | 0 | 0 | 0 | 112.5 | E342 L343 Q348 L349 L350 | E342-Y346 HydrophobicContact CB-CE2 4.49Å; E342-Y346 HydrophobicContact CG-CD2 4.22Å; E342-Y346 HydrophobicContact CG-CE2 3.53Å; E342-Y346 WeakPolarHBondContact O-CD2 3.46Å; E342-Y346 PolarHBondContact O-N 3.02Å; E342-Y346 VanDerWaalsContact OE1-CE2 3.26Å; E342-Y346 WeakPolarHBondContact OE1-CE2 3.49Å; E342-Y346 PolarHBondContact OE1-OH 3.26Å; L343-Y346 PolarHBondContact O-N 3.43Å; Y346-Q348 VanDerWaalsContact C-N 3.33Å; Y346-Q348 PolarHBondContact O-N 2.94Å; Y346-L349 PolarHBondContact O-N 3.43Å; Y346-L350 WeakPolarHBondContact O-CB 3.36Å; Y346-L350 WeakPolarHBondContact O-CG 3.48Å; Y346-L350 PolarHBondContact O-N 3.41Å |
| 347 | V | 96.5 | Very high | 94.7 | Very high | 76 Ų | 76 | 104.7 Ų | 104.7 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 175.8 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | L343 L344 L350 T351 | L343-V347 VanDerWaalsContact O-CG2 3.3Å; L343-V347 WeakPolarHBondContact O-CG2 3.26Å; L343-V347 PolarHBondContact O-N 3.06Å; L344-V347 PolarHBondContact O-N 2.94Å; V347-L350 PolarHBondContact O-N 2.74Å; V347-T351 WeakPolarHBondContact O-CB 3.41Å; V347-T351 PolarHBondContact O-N 3.43Å; V347-T351 PolarHBondContact O-OG1 3.04Å |
| 348 | Q | 95.4 | Very high | 95.2 | Very high | 142 Ų | 142 | 104.2 Ų | 104.2 | 66% | 0.664 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63 | -44.7 | 175 | -74.3 | 176.7 | -13.5 | 0 | 0 | 111.9 | L344 S345 Y346 L350 T351 E352 | L344-Q348 WeakPolarHBondContact O-CG 3.42Å; L344-Q348 PolarHBondContact O-N 3.46Å; S345-Q348 PolarHBondContact O-N 3.1Å; Y346-Q348 VanDerWaalsContact C-N 3.33Å; Y346-Q348 PolarHBondContact O-N 2.94Å; Q348-L350 PolarHBondContact O-N 3.23Å; Q348-T351 WeakPolarHBondContact O-CB 3.46Å; Q348-T351 PolarHBondContact O-N 3.5Å; Q348-E352 PolarHBondContact O-N 2.99Å |
| 349 | L | 96.8 | Very high | 95.6 | Very high | 103 Ų | 103 | 107.2 Ų | 107.2 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 177.5 | -179.2 | 63.1 | 0 | 0 | 0 | 111.8 | S345 Y346 T351 E352 M353 | S345-L349 WeakPolarHBondContact O-CB 3.12Å; S345-L349 PolarHBondContact O-N 3.38Å; Y346-L349 PolarHBondContact O-N 3.43Å; L349-T351 VanDerWaalsContact C-N 3.3Å; L349-T351 PolarHBondContact O-N 3.49Å; L349-E352 PolarHBondContact O-N 3.06Å; L349-M353 HydrophobicContact CG-SD 4.42Å; L349-M353 WeakPolarHBondContact O-CG 3.37Å; L349-M353 PolarHBondContact O-N 3.48Å |
| 350 | L | 96.8 | Very high | 96 | Very high | 115 Ų | 115 | 106.2 Ų | 106.2 | 60% | 0.602 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.8 | -39.4 | 176.5 | -74.9 | 170 | 0 | 0 | 0 | 111.9 | Y346 V347 Q348 M353 K354 | Y346-L350 WeakPolarHBondContact O-CB 3.36Å; Y346-L350 WeakPolarHBondContact O-CG 3.48Å; Y346-L350 PolarHBondContact O-N 3.41Å; V347-L350 PolarHBondContact O-N 2.74Å; Q348-L350 PolarHBondContact O-N 3.23Å; L350-M353 PolarHBondContact O-N 2.98Å; L350-K354 WeakPolarHBondContact O-CB 3.26Å; L350-K354 PolarHBondContact O-N 3.35Å |
| 351 | T | 97.1 | Very high | 96.2 | Very high | 88 Ų | 88 | 106.3 Ų | 106.3 | 54% | 0.54 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 176.9 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | V347 Q348 L349 K354 R355 | V347-T351 WeakPolarHBondContact O-CB 3.41Å; V347-T351 PolarHBondContact O-N 3.43Å; V347-T351 PolarHBondContact O-OG1 3.04Å; Q348-T351 WeakPolarHBondContact O-CB 3.46Å; Q348-T351 PolarHBondContact O-N 3.5Å; L349-T351 VanDerWaalsContact C-N 3.3Å; L349-T351 PolarHBondContact O-N 3.49Å; T351-K354 PolarHBondContact O-N 3.25Å; T351-R355 PolarHBondContact O-N 2.93Å |
| 352 | E | 97.2 | Very high | 96.4 | Very high | 75 Ų | 75 | 103.7 Ų | 103.7 | 35% | 0.35 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.2 | -42.2 | 177.1 | -179.5 | 55 | -154.5 | 0 | 0 | 112.1 | Q348 L349 K354 R355 N356 | Q348-E352 PolarHBondContact O-N 2.99Å; L349-E352 PolarHBondContact O-N 3.06Å; E352-K354 VanDerWaalsContact C-N 3.32Å; E352-K354 PolarHBondContact O-N 3.5Å; E352-R355 WeakPolarHBondContact O-CB 3.41Å; E352-R355 PolarHBondContact O-N 2.85Å; E352-R355 IonicContact OE1-CZ 3.51Å; E352-R355 IonicContact OE1-NE 2.64Å; E352-R355 PolarHBondContact OE1-NE 3.25Å; E352-R355 IonicContact OE1-NH2 2.71Å; E352-R355 PolarHBondContact OE1-NH2 3.4Å; E352-R355 IonicContact OE2-CZ 2.86Å; E352-R355 IonicContact OE2-NE 3.45Å; E352-R355 PolarHBondContact OE2-NE 3.29Å; E352-R355 IonicContact OE2-NH2 3.33Å; E352-R355 PolarHBondContact OE2-NH2 2.88Å; E352-N356 PolarHBondContact O-N 3.31Å; E352-N356 PolarHBondContact O-ND2 3.48Å; E352-N356 PolarHBondContact OE1-ND2 3.18Å; E352-N356 VanDerWaalsContact OE1-ND2 3.08Å; E352-N356 PolarHBondContact OE1-OD1 3.08Å |
| 353 | M | 97.9 | Very high | 96.6 | Very high | 101 Ų | 101 | 105 Ų | 105 | 50% | 0.498 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 173.4 | -74.4 | -179.2 | 63.2 | 0 | 0 | 111.7 | L349 L350 R355 N356 L357 | L349-M353 HydrophobicContact CG-SD 4.42Å; L349-M353 WeakPolarHBondContact O-CG 3.37Å; L349-M353 PolarHBondContact O-N 3.48Å; L350-M353 PolarHBondContact O-N 2.98Å; M353-R355 VanDerWaalsContact C-N 3.34Å; M353-R355 PolarHBondContact O-N 3.4Å; M353-N356 PolarHBondContact O-N 3Å; M353-L357 WeakPolarHBondContact O-CG 3.36Å; M353-L357 PolarHBondContact O-N 2.89Å |
| 354 | K | 97.7 | Very high | 96.7 | Very high | 124 Ų | 124 | 104.9 Ų | 104.9 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 174.6 | -174.7 | -171.9 | 178.5 | -62.5 | 0 | 110.9 | L350 T351 E352 N356 L357 D358 | L350-K354 WeakPolarHBondContact O-CB 3.26Å; L350-K354 PolarHBondContact O-N 3.35Å; T351-K354 PolarHBondContact O-N 3.25Å; E352-K354 VanDerWaalsContact C-N 3.32Å; E352-K354 PolarHBondContact O-N 3.5Å; K354-N356 VanDerWaalsContact C-N 3.32Å; K354-N356 PolarHBondContact O-N 2.71Å; K354-L357 PolarHBondContact O-N 3.19Å; K354-D358 IonicContact NZ-OD1 3.84Å; K354-D358 IonicContact NZ-OD2 2.95Å; K354-D358 PolarHBondContact NZ-OD2 3.35Å; K354-D358 WeakPolarHBondContact O-CB 3.49Å; K354-D358 VanDerWaalsContact O-CG 3.32Å; K354-D358 PolarHBondContact O-N 3.45Å |
| 355 | R | 97.7 | Very high | 96.8 | Very high | 153 Ų | 153 | 106.9 Ų | 106.9 | 58% | 0.577 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.3 | -42.7 | 177.6 | -169.8 | -178.5 | 75.3 | 95 | 4.5 | 112.1 | T351 E352 M353 D358 F359 | T351-R355 PolarHBondContact O-N 2.93Å; E352-R355 WeakPolarHBondContact O-CB 3.41Å; E352-R355 PolarHBondContact O-N 2.85Å; E352-R355 IonicContact OE1-CZ 3.51Å; E352-R355 IonicContact OE1-NE 2.64Å; E352-R355 PolarHBondContact OE1-NE 3.25Å; E352-R355 IonicContact OE1-NH2 2.71Å; E352-R355 PolarHBondContact OE1-NH2 3.4Å; E352-R355 IonicContact OE2-CZ 2.86Å; E352-R355 IonicContact OE2-NE 3.45Å; E352-R355 PolarHBondContact OE2-NE 3.29Å; E352-R355 IonicContact OE2-NH2 3.33Å; E352-R355 PolarHBondContact OE2-NH2 2.88Å; M353-R355 VanDerWaalsContact C-N 3.34Å; M353-R355 PolarHBondContact O-N 3.4Å; R355-D358 PolarHBondContact O-N 3.37Å; R355-F359 WeakPolarHBondContact O-CB 3.37Å; R355-F359 PolarHBondContact O-N 3.41Å |
| 356 | N | 97.3 | Very high | 96.8 | Very high | 68 Ų | 68 | 109.7 Ų | 109.7 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 177.8 | -71.9 | -36 | 0 | 0 | 0 | 112.3 | E352 M353 K354 F359 I360 | E352-N356 PolarHBondContact O-N 3.31Å; E352-N356 PolarHBondContact O-ND2 3.48Å; E352-N356 PolarHBondContact OE1-ND2 3.18Å; E352-N356 VanDerWaalsContact OE1-ND2 3.08Å; E352-N356 PolarHBondContact OE1-OD1 3.08Å; M353-N356 PolarHBondContact O-N 3Å; K354-N356 VanDerWaalsContact C-N 3.32Å; K354-N356 PolarHBondContact O-N 2.71Å; N356-F359 WeakPolarHBondContact O-CB 3.42Å; N356-F359 PolarHBondContact O-N 3.47Å; N356-I360 VanDerWaalsContact O-CG1 3.31Å; N356-I360 WeakPolarHBondContact O-CG1 3.42Å; N356-I360 PolarHBondContact O-N 3.2Å |
| 357 | L | 97.7 | Very high | 96.8 | Very high | 112 Ų | 112 | 109.5 Ų | 109.5 | 59% | 0.586 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.2 | -43.8 | 174.4 | -74.3 | 176 | 0 | 0 | 0 | 112 | M353 K354 F359 I360 Y361 | M353-L357 WeakPolarHBondContact O-CG 3.36Å; M353-L357 PolarHBondContact O-N 2.89Å; K354-L357 PolarHBondContact O-N 3.19Å; L357-F359 VanDerWaalsContact C-N 3.28Å; L357-F359 PolarHBondContact O-N 2.94Å; L357-I360 PolarHBondContact O-N 2.92Å; L357-Y361 VanDerWaalsContact O-CB 3.26Å; L357-Y361 WeakPolarHBondContact O-CB 3.31Å; L357-Y361 PolarHBondContact O-N 3.25Å |
| 358 | D | 96.9 | Very high | 96.7 | Very high | 69 Ų | 69 | 113.7 Ų | 113.7 | 37% | 0.369 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.6 | -40.6 | 175.1 | -71.9 | -31.8 | 0 | 0 | 0 | 110.9 | K354 R355 N362 | K354-D358 IonicContact NZ-OD1 3.84Å; K354-D358 IonicContact NZ-OD2 2.95Å; K354-D358 PolarHBondContact NZ-OD2 3.35Å; K354-D358 WeakPolarHBondContact O-CB 3.49Å; K354-D358 VanDerWaalsContact O-CG 3.32Å; K354-D358 PolarHBondContact O-N 3.45Å; R355-D358 PolarHBondContact O-N 3.37Å; D358-N362 WeakPolarHBondContact O-CB 3.49Å; D358-N362 PolarHBondContact O-N 2.89Å; D358-N362 PolarHBondContact O-ND2 2.95Å |
| 359 | F | 97.2 | Very high | 96.6 | Very high | 138 Ų | 138 | 111.4 Ų | 111.4 | 61% | 0.605 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.8 | -48.9 | 175.7 | 179.4 | -95.5 | 0 | 0 | 0 | 112.6 | R355 N356 L357 N362 R363 | R355-F359 WeakPolarHBondContact O-CB 3.37Å; R355-F359 PolarHBondContact O-N 3.41Å; N356-F359 WeakPolarHBondContact O-CB 3.42Å; N356-F359 PolarHBondContact O-N 3.47Å; L357-F359 VanDerWaalsContact C-N 3.28Å; L357-F359 PolarHBondContact O-N 2.94Å; F359-N362 PolarHBondContact O-N 2.98Å; F359-R363 WeakPolarHBondContact O-CB 3.33Å; F359-R363 PolarHBondContact O-N 3.41Å |
| 360 | I | 97.4 | Very high | 96.4 | Very high | 90 Ų | 90 | 110.3 Ų | 110.3 | 46% | 0.462 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 178.1 | -68.6 | 165.7 | 0 | 0 | 0 | 110.2 | N356 L357 N362 R363 I364 | N356-I360 VanDerWaalsContact O-CG1 3.31Å; N356-I360 WeakPolarHBondContact O-CG1 3.42Å; N356-I360 PolarHBondContact O-N 3.2Å; L357-I360 PolarHBondContact O-N 2.92Å; I360-N362 PolarHBondContact O-N 3.45Å; I360-R363 PolarHBondContact O-N 2.94Å; I360-I364 HydrophobicContact CG2-CD1 3.67Å; I360-I364 HydrophobicContact CG2-CG1 4.32Å; I360-I364 WeakPolarHBondContact O-CG1 3.46Å; I360-I364 PolarHBondContact O-N 3.44Å |
| 361 | Y | 97.1 | Very high | 96.1 | Very high | 146 Ų | 146 | 108.9 Ų | 108.9 | 57% | 0.573 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.4 | -48.5 | 178.5 | 179 | -99 | 0 | 0 | 0 | 111.8 | L357 R363 I364 R365 | L357-Y361 VanDerWaalsContact O-CB 3.26Å; L357-Y361 WeakPolarHBondContact O-CB 3.31Å; L357-Y361 PolarHBondContact O-N 3.25Å; Y361-R363 VanDerWaalsContact C-N 3.31Å; Y361-R363 PolarHBondContact O-N 2.96Å; Y361-I364 PolarHBondContact O-N 3.33Å; Y361-R365 WeakPolarHBondContact O-CB 3.39Å; Y361-R365 PolarHBondContact O-N 3.32Å |
| 362 | N | 96.7 | Very high | 95.8 | Very high | 96 Ų | 96 | 107.3 Ų | 107.3 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 177.3 | -73.8 | -31 | 0 | 0 | 0 | 112.2 | D358 F359 I360 K366 | D358-N362 WeakPolarHBondContact O-CB 3.49Å; D358-N362 PolarHBondContact O-N 2.89Å; D358-N362 PolarHBondContact O-ND2 2.95Å; F359-N362 PolarHBondContact O-N 2.98Å; I360-N362 PolarHBondContact O-N 3.45Å; N362-K366 PolarHBondContact O-N 3.11Å |
| 363 | R | 96.4 | Very high | 95.4 | Very high | 121 Ų | 121 | 109.6 Ų | 109.6 | 46% | 0.457 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -45.9 | 177.3 | -168.3 | 72.7 | -178.2 | -172.6 | 1 | 111.7 | F359 I360 Y361 R365 K366 Y367 | F359-R363 WeakPolarHBondContact O-CB 3.33Å; F359-R363 PolarHBondContact O-N 3.41Å; I360-R363 PolarHBondContact O-N 2.94Å; Y361-R363 VanDerWaalsContact C-N 3.31Å; Y361-R363 PolarHBondContact O-N 2.96Å; R363-R365 VanDerWaalsContact C-N 3.34Å; R363-K366 PolarHBondContact O-N 3.14Å; R363-Y367 HydrophobicContact CG-CD2 3.96Å; R363-Y367 HydrophobicContact CG-CE2 3.62Å; R363-Y367 VanDerWaalsContact NE-CE2 3.34Å; R363-Y367 PolarHBondContact NE-OH 2.83Å; R363-Y367 PolarHBondContact NH2-OH 3.31Å; R363-Y367 WeakPolarHBondContact O-CD2 3.5Å; R363-Y367 PolarHBondContact O-N 3.38Å |
| 364 | I | 96.7 | Very high | 94.7 | Very high | 108 Ų | 108 | 111.4 Ų | 111.4 | 55% | 0.554 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.9 | -44.7 | 176.4 | -69 | 169.8 | 0 | 0 | 0 | 110.3 | I360 Y361 K366 Y367 K368 | I360-I364 HydrophobicContact CG2-CD1 3.67Å; I360-I364 HydrophobicContact CG2-CG1 4.32Å; I360-I364 WeakPolarHBondContact O-CG1 3.46Å; I360-I364 PolarHBondContact O-N 3.44Å; Y361-I364 PolarHBondContact O-N 3.33Å; I364-K366 PolarHBondContact O-N 2.71Å; I364-Y367 PolarHBondContact O-N 3.3Å; I364-K368 PolarHBondContact O-N 2.73Å |
| 365 | R | 95.9 | Very high | 93.9 | Very high | 137 Ų | 137 | 109.4 Ų | 109.4 | 52% | 0.517 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.1 | -46.8 | 177.3 | -175.6 | 176.2 | -178.5 | 158.6 | 5.8 | 111.9 | Y361 R363 Y367 K368 E369 | Y361-R365 WeakPolarHBondContact O-CB 3.39Å; Y361-R365 PolarHBondContact O-N 3.32Å; R363-R365 VanDerWaalsContact C-N 3.34Å; R365-Y367 PolarHBondContact O-N 3.02Å; R365-K368 WeakPolarHBondContact O-CB 3.35Å; R365-K368 PolarHBondContact O-N 2.98Å; R365-E369 WeakPolarHBondContact CG-OE1 3.48Å; R365-E369 IonicContact NE-OE1 3.68Å; R365-E369 PolarHBondContact NE-OE1 3.17Å; R365-E369 WeakPolarHBondContact O-CG 3.44Å; R365-E369 PolarHBondContact O-N 3.04Å |
| 366 | K | 95 | Very high | 92.9 | Very high | 118 Ų | 118 | 106.7 Ų | 106.7 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 176.4 | -173.1 | 174.6 | -177.2 | 172.5 | 0 | 112.5 | N362 R363 I364 K368 E369 M370 | N362-K366 PolarHBondContact O-N 3.11Å; R363-K366 PolarHBondContact O-N 3.14Å; I364-K366 PolarHBondContact O-N 2.71Å; K366-K368 VanDerWaalsContact C-N 3.33Å; K366-K368 PolarHBondContact O-N 3.47Å; K366-E369 PolarHBondContact O-N 3.35Å; K366-M370 HydrophobicContact CG-SD 4.42Å; K366-M370 WeakPolarHBondContact O-CG 3.45Å; K366-M370 PolarHBondContact O-N 3.47Å |
| 367 | Y | 94.8 | Very high | 91.6 | Very high | 119 Ų | 119 | 111.5 Ų | 111.5 | 47% | 0.467 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 175.6 | -79.6 | -61.8 | 0 | 0 | 0 | 112.4 | R363 I364 R365 M370 C371 | R363-Y367 HydrophobicContact CG-CD2 3.96Å; R363-Y367 HydrophobicContact CG-CE2 3.62Å; R363-Y367 VanDerWaalsContact NE-CE2 3.34Å; R363-Y367 PolarHBondContact NE-OH 2.83Å; R363-Y367 PolarHBondContact NH2-OH 3.31Å; R363-Y367 WeakPolarHBondContact O-CD2 3.5Å; R363-Y367 PolarHBondContact O-N 3.38Å; I364-Y367 PolarHBondContact O-N 3.3Å; R365-Y367 PolarHBondContact O-N 3.02Å; Y367-M370 PolarHBondContact O-N 3.49Å; Y367-C371 PolarHBondContact O-N 3.19Å; Y367-C371 PolarHBondContact O-SG 3.42Å |
| 368 | K | 94.6 | Very high | 89.9 | Confident | 164 Ų | 164 | 113.7 Ų | 113.7 | 71% | 0.713 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.1 | -42.2 | 176.1 | -173.4 | -179.1 | 176 | -176.8 | 0 | 111.8 | I364 R365 K366 C371 A372 | I364-K368 PolarHBondContact O-N 2.73Å; R365-K368 WeakPolarHBondContact O-CB 3.35Å; R365-K368 PolarHBondContact O-N 2.98Å; K366-K368 VanDerWaalsContact C-N 3.33Å; K366-K368 PolarHBondContact O-N 3.47Å; K368-C371 PolarHBondContact O-N 3.04Å; K368-A372 PolarHBondContact O-N 3.34Å; K368-A372 VanDerWaalsContact O-N 3.11Å |
| 369 | E | 94.1 | Very high | 89.5 | Confident | 94 Ų | 94 | 115.9 Ų | 115.9 | 44% | 0.439 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62 | -48.5 | 175.3 | -71.2 | 163.2 | -175.8 | 0 | 0 | 111 | R365 K366 C371 A372 E373 | R365-E369 WeakPolarHBondContact CG-OE1 3.48Å; R365-E369 IonicContact NE-OE1 3.68Å; R365-E369 PolarHBondContact NE-OE1 3.17Å; R365-E369 WeakPolarHBondContact O-CG 3.44Å; R365-E369 PolarHBondContact O-N 3.04Å; K366-E369 PolarHBondContact O-N 3.35Å; E369-C371 VanDerWaalsContact C-N 3.34Å; E369-C371 PolarHBondContact O-N 3.05Å; E369-A372 WeakPolarHBondContact O-CB 3.46Å; E369-A372 PolarHBondContact O-N 3.14Å; E369-A372 VanDerWaalsContact O-N 3.14Å; E369-E373 WeakPolarHBondContact O-CG 3.17Å; E369-E373 PolarHBondContact O-N 3.33Å; E369-E373 VanDerWaalsContact O-N 3.08Å |
| 370 | M | 92.7 | Very high | 89.1 | Confident | 80 Ų | 80 | 114.7 Ų | 114.7 | 39% | 0.394 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.7 | -36.4 | 177.3 | -69.2 | 175.8 | 65.6 | 0 | 0 | 113.8 | K366 Y367 K374 | K366-M370 HydrophobicContact CG-SD 4.42Å; K366-M370 WeakPolarHBondContact O-CG 3.45Å; K366-M370 PolarHBondContact O-N 3.47Å; Y367-M370 PolarHBondContact O-N 3.49Å; M370-K374 WeakPolarHBondContact O-CG 3.49Å; M370-K374 PolarHBondContact O-N 3.08Å |
| 371 | C | 90.4 | Very high | 88.7 | Confident | 86 Ų | 86 | 116.1 Ų | 116.1 | 58% | 0.581 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.1 | -35.6 | 176.2 | -72.2 | 0 | 0 | 0 | 0 | 112 | Y367 K368 E369 S375 | Y367-C371 PolarHBondContact O-N 3.19Å; Y367-C371 PolarHBondContact O-SG 3.42Å; K368-C371 PolarHBondContact O-N 3.04Å; E369-C371 VanDerWaalsContact C-N 3.34Å; E369-C371 PolarHBondContact O-N 3.05Å; C371-S375 PolarHBondContact O-N 2.73Å; C371-S375 VanDerWaalsContact O-N 3.17Å; C371-S375 PolarHBondContact O-OG 3.5Å |
| 372 | A | 90.4 | Very high | 88.2 | Confident | 54 Ų | 54 | 114.4 Ų | 114.4 | 45% | 0.446 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.1 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K368 E369 S375 S376 | K368-A372 PolarHBondContact O-N 3.34Å; K368-A372 VanDerWaalsContact O-N 3.11Å; E369-A372 WeakPolarHBondContact O-CB 3.46Å; E369-A372 PolarHBondContact O-N 3.14Å; E369-A372 VanDerWaalsContact O-N 3.14Å; A372-S375 WeakPolarHBondContact CA-OG 3.47Å; A372-S375 PolarHBondContact O-N 3.2Å; A372-S375 PolarHBondContact O-OG 2.87Å; A372-S376 PolarHBondContact O-N 3.35Å; A372-S376 PolarHBondContact O-OG 3.29Å |
| 373 | E | 88.3 | Confident | 87.6 | Confident | 123 Ų | 123 | 115.5 Ų | 115.5 | 58% | 0.575 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.4 | -45.9 | 176.2 | -70.5 | 169.9 | 176.4 | 0 | 0 | 112.1 | E369 S375 S376 E377 | E369-E373 WeakPolarHBondContact O-CG 3.17Å; E369-E373 PolarHBondContact O-N 3.33Å; E369-E373 VanDerWaalsContact O-N 3.08Å; E373-S375 VanDerWaalsContact C-N 3.3Å; E373-S375 PolarHBondContact O-N 3.36Å; E373-S376 PolarHBondContact O-N 3.47Å; E373-S376 VanDerWaalsContact O-N 3.14Å; E373-S376 PolarHBondContact O-OG 3.49Å; E373-E377 PolarHBondContact O-N 3.26Å |
| 374 | K | 84.2 | Confident | 87.1 | Confident | 139 Ų | 139 | 115.1 Ų | 115.1 | 60% | 0.604 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63 | -34.8 | 176.7 | -73.8 | -176.6 | 177.1 | -172.5 | 0 | 113.4 | M370 S376 E377 S378 | M370-K374 WeakPolarHBondContact O-CG 3.49Å; M370-K374 PolarHBondContact O-N 3.08Å; K374-S376 VanDerWaalsContact C-N 3.29Å; K374-E377 PolarHBondContact O-N 3.5Å; K374-S378 PolarHBondContact O-N 3.26Å; K374-S378 PolarHBondContact O-OG 2.95Å |
| 375 | S | 79.7 | Confident | 86.4 | Confident | 83 Ų | 83 | 115.6 Ų | 115.6 | 58% | 0.58 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -74.7 | -16.2 | 177.2 | 61.7 | 0 | 0 | 0 | 0 | 114 | C371 A372 E373 | C371-S375 PolarHBondContact O-N 2.73Å; C371-S375 VanDerWaalsContact O-N 3.17Å; C371-S375 PolarHBondContact O-OG 3.5Å; A372-S375 WeakPolarHBondContact CA-OG 3.47Å; A372-S375 PolarHBondContact O-N 3.2Å; A372-S375 PolarHBondContact O-OG 2.87Å; E373-S375 VanDerWaalsContact C-N 3.3Å; E373-S375 PolarHBondContact O-N 3.36Å |
| 376 | S | 77.2 | Confident | 85.6 | Confident | 95 Ų | 95 | 114 Ų | 114 | 66% | 0.664 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -90.6 | -16 | 173.7 | 49.2 | 0 | 0 | 0 | 0 | 114.2 | A372 E373 K374 | A372-S376 PolarHBondContact O-N 3.35Å; A372-S376 PolarHBondContact O-OG 3.29Å; E373-S376 PolarHBondContact O-N 3.47Å; E373-S376 VanDerWaalsContact O-N 3.14Å; E373-S376 PolarHBondContact O-OG 3.49Å; K374-S376 VanDerWaalsContact C-N 3.29Å |
| 377 | E | 69.4 | Low | 84.9 | Confident | 169 Ų | 169 | 113.7 Ų | 113.7 | 79% | 0.79 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -93.7 | -13.2 | 177 | -72.8 | 179.8 | 156.3 | 0 | 0 | 113.7 | E373 K374 | E373-E377 PolarHBondContact O-N 3.26Å; K374-E377 PolarHBondContact O-N 3.5Å |
| 378 | S | 62.6 | Low | 84 | Confident | 158 Ų | 158 | 113.2 Ų | 113.2 | 100% | 1.105 | 63% | 0.627 | S | S | * | * | trans | -97.8 | 0 | 172.9 | -54.3 | 0 | 0 | 0 | 0 | 110.5 | K374 | K374-S378 PolarHBondContact O-N 3.26Å; K374-S378 PolarHBondContact O-OG 2.95Å |
Retrieved 378 of 378 residues in 166.5 ms
(Link to these results)